CID 6366233

93804-04-7

Structural Information

Molecular Formula
C22H39NO3
SMILES
CCCCCCCCCCCCCCCC/C=C/NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h17-20H,2-16H2,1H3,(H,23,24)(H,25,26)/b19-18+,20-17+
InChIKey
XIYWXKBSZXPHIL-LKRWSQIDSA-N
Compound name
(E)-4-[[(E)-octadec-1-enyl]amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.293 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.30028 199.7
[M+Na]+ 388.28222 199.7
[M-H]- 364.28572 195.7
[M+NH4]+ 383.32682 211.1
[M+K]+ 404.25616 194.5
[M+H-H2O]+ 348.29026 192.0
[M+HCOO]- 410.29120 217.2
[M+CH3COO]- 424.30685 219.6
[M+Na-2H]- 386.26767 195.7
[M]+ 365.29245 204.2
[M]- 365.29355 204.2
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

patents stripe