CID 170988327

Lingaoamide

Structural Information

Molecular Formula
C45H63N7O7
SMILES
CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N([C@H](C(=O)N1)CC4=CC=CC=C4)C)C)CC5=CC=CC=C5)CC(C)C)C
InChI
InChI=1S/C45H63N7O7/c1-8-29(4)38-45(59)50(7)36(25-28(2)3)40(54)47-33(26-31-17-11-9-12-18-31)43(57)51-23-15-21-34(51)39(53)46-30(5)42(56)52-24-16-22-35(52)44(58)49(6)37(41(55)48-38)27-32-19-13-10-14-20-32/h9-14,17-20,28-30,33-38H,8,15-16,21-27H2,1-7H3,(H,46,53)(H,47,54)(H,48,55)/t29-,30-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
ZRUFHHAVZKEZPJ-DEPBBLTESA-N
Compound name
(3S,6S,12S,15S,18S,21S,24S)-12,21-dibenzyl-18-[(2S)-butan-2-yl]-3,16,22-trimethyl-15-(2-methylpropyl)-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

813.4789 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.48618 282.0
[M+Na]+ 836.46812 288.1
[M-H]- 812.47162 271.9
[M+NH4]+ 831.51272 279.8
[M+K]+ 852.44206 267.8
[M+H-H2O]+ 796.47616 252.0
[M+HCOO]- 858.47710 280.6
[M+CH3COO]- 872.49275 283.4
[M+Na-2H]- 834.45357 276.2
[M]+ 813.47835 290.0
[M]- 813.47945 290.0
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.