CID 13685295

3077-27-8

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C22H41NO3/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/h18-19H,2-17,20H2,1H3,(H,23,24)(H,25,26)/b19-18-
InChIKey
NWODYZCQADERLP-HNENSFHCSA-N
Compound name
(Z)-4-(octadecylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

367.30865 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.31593 199.6
[M+Na]+ 390.29787 204.1
[M+NH4]+ 385.34247 209.9
[M+K]+ 406.27181 197.0
[M-H]- 366.30137 196.4
[M+Na-2H]- 388.28332 197.2
[M]+ 367.30810 198.6
[M]- 367.30920 198.6
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

patents stripe