CID 11050722

Ulongamide e

Structural Information

Molecular Formula
C35H51N5O7S
SMILES
CCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C2=NC(=CS2)C(=O)N1)C)C(C)C)C)CC3=CC=C(C=C3)O)C)[C@@H](C)CC)C
InChI
InChI=1S/C35H51N5O7S/c1-10-12-25-21(6)35(46)47-29(20(5)11-2)34(45)39(8)27(17-23-13-15-24(41)16-14-23)33(44)40(9)28(19(3)4)31(43)36-22(7)32-38-26(18-48-32)30(42)37-25/h13-16,18-22,25,27-29,41H,10-12,17H2,1-9H3,(H,36,43)(H,37,42)/t20-,21-,22-,25+,27-,28-,29-/m0/s1
InChIKey
WTSNBJFZSIXNHV-QPJFRRSWSA-N
Compound name
(2S,5S,8S,11S,14S,15R)-11-[(2S)-butan-2-yl]-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.3509 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.35818 265.0
[M+Na]+ 708.34012 268.7
[M-H]- 684.34362 262.5
[M+NH4]+ 703.38472 256.3
[M+K]+ 724.31406 263.9
[M+H-H2O]+ 668.34816 262.5
[M+HCOO]- 730.34910 257.6
[M+CH3COO]- 744.36475 270.6
[M+Na-2H]- 706.32557 248.8
[M]+ 685.35035 264.8
[M]- 685.35145 264.8
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.