CID 146684885

Piricyclamide faiflllp

Structural Information

Molecular Formula
C50H74N8O8
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC3=CC=CC=C3)CC(C)C)CC(C)C)CC(C)C)CC4=CC=CC=C4
InChI
InChI=1S/C50H74N8O8/c1-10-32(8)42-49(65)55-39(28-35-20-15-12-16-21-35)47(63)53-36(24-29(2)3)45(61)52-37(25-30(4)5)46(62)56-40(26-31(6)7)50(66)58-23-17-22-41(58)48(64)54-38(27-34-18-13-11-14-19-34)44(60)51-33(9)43(59)57-42/h11-16,18-21,29-33,36-42H,10,17,22-28H2,1-9H3,(H,51,60)(H,52,61)(H,53,63)(H,54,64)(H,55,65)(H,56,62)(H,57,59)/t32-,33-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey
PSONGBSQTWWKPY-RCWXPUQQSA-N
Compound name
(3S,6S,9S,12S,15S,18S,21S,24S)-12,21-dibenzyl-15-[(2S)-butan-2-yl]-18-methyl-3,6,9-tris(2-methylpropyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

914.563 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 915.57028 292.7
[M+Na]+ 937.55222 297.0
[M-H]- 913.55572 281.2
[M+NH4]+ 932.59682 289.4
[M+K]+ 953.52616 272.4
[M+H-H2O]+ 897.56026 259.5
[M+HCOO]- 959.56120 289.9
[M+CH3COO]- 973.57685 292.4
[M+Na-2H]- 935.53767 290.3
[M]+ 914.56245 303.1
[M]- 914.56355 303.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.