CID 5311007

Acpa

Structural Information

Molecular Formula
C23H37NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChI
InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKey
GLGAUBPACOBAMV-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

71
References

2577
Patents

343.2875 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.29478 189.6
[M+Na]+ 366.27672 192.7
[M-H]- 342.28022 191.6
[M+NH4]+ 361.32132 198.4
[M+K]+ 382.25066 184.7
[M+H-H2O]+ 326.28476 181.5
[M+HCOO]- 388.28570 209.8
[M+CH3COO]- 402.30135 218.5
[M+Na-2H]- 364.26217 188.0
[M]+ 343.28695 194.6
[M]- 343.28805 194.6
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