CID 49865534

N-benzyloleamide

Structural Information

Molecular Formula
C25H41NO
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3,(H,26,27)/b10-9-
InChIKey
QHXGFOCPQQADIF-KTKRTIGZSA-N
Compound name
(Z)-N-benzyloctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
Patents

371.31882 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.32610 202.2
[M+Na]+ 394.30804 202.2
[M-H]- 370.31154 202.6
[M+NH4]+ 389.35264 213.9
[M+K]+ 410.28198 196.0
[M+H-H2O]+ 354.31608 193.0
[M+HCOO]- 416.31702 221.9
[M+CH3COO]- 430.33267 224.1
[M+Na-2H]- 392.29349 200.7
[M]+ 371.31827 206.3
[M]- 371.31937 206.3
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