CID 155802541

Wortmanamide b

Structural Information

Molecular Formula
C23H41NO4
SMILES
C[C@H](C/C=C/CCCCCCCCCC/C=C/C(=O)NCCCCC(=O)O)O
InChI
InChI=1S/C23H41NO4/c1-21(25)17-13-11-9-7-5-3-2-4-6-8-10-12-14-18-22(26)24-20-16-15-19-23(27)28/h11,13-14,18,21,25H,2-10,12,15-17,19-20H2,1H3,(H,24,26)(H,27,28)/b13-11+,18-14+/t21-/m1/s1
InChIKey
SHJUILIXISHHRJ-CSTGAESGSA-N
Compound name
5-[[(2E,14E,17R)-17-hydroxyoctadeca-2,14-dienoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.30356 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.31084 207.3
[M+Na]+ 418.29278 206.2
[M-H]- 394.29628 201.8
[M+NH4]+ 413.33738 210.1
[M+K]+ 434.26672 201.0
[M+H-H2O]+ 378.30082 199.6
[M+HCOO]- 440.30176 215.7
[M+CH3COO]- 454.31741 222.9
[M+Na-2H]- 416.27823 201.2
[M]+ 395.30301 211.1
[M]- 395.30411 211.1
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.