CID 155802539

Wortmanamide a(1-)

Structural Information

Molecular Formula
C21H37NO4
SMILES
C[C@H](C/C=C/CCCCCCCC/C=C/C(=O)NCCCCC(=O)O)O
InChI
InChI=1S/C21H37NO4/c1-19(23)15-11-9-7-5-3-2-4-6-8-10-12-16-20(24)22-18-14-13-17-21(25)26/h9,11-12,16,19,23H,2-8,10,13-15,17-18H2,1H3,(H,22,24)(H,25,26)/b11-9+,16-12+/t19-/m1/s1
InChIKey
OFAIMODNBSGXLZ-YJLSBPSSSA-N
Compound name
5-[[(2E,12E,15R)-15-hydroxyhexadeca-2,12-dienoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.27225 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.27953 198.7
[M+Na]+ 390.26147 198.4
[M-H]- 366.26497 193.5
[M+NH4]+ 385.30607 202.9
[M+K]+ 406.23541 193.7
[M+H-H2O]+ 350.26951 191.3
[M+HCOO]- 412.27045 209.3
[M+CH3COO]- 426.28610 217.0
[M+Na-2H]- 388.24692 193.5
[M]+ 367.27170 201.7
[M]- 367.27280 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.