CID 59221

N-(o-bromobenzyl)dodecanamide

Structural Information

Molecular Formula
C19H30BrNO
SMILES
CCCCCCCCCCCC(=O)NCC1=CC=CC=C1Br
InChI
InChI=1S/C19H30BrNO/c1-2-3-4-5-6-7-8-9-10-15-19(22)21-16-17-13-11-12-14-18(17)20/h11-14H,2-10,15-16H2,1H3,(H,21,22)
InChIKey
DEDOIAZFIQMANB-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.1511 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15838 186.7
[M+Na]+ 390.14032 193.0
[M-H]- 366.14382 191.0
[M+NH4]+ 385.18492 202.7
[M+K]+ 406.11426 179.7
[M+H-H2O]+ 350.14836 184.1
[M+HCOO]- 412.14930 205.6
[M+CH3COO]- 426.16495 216.8
[M+Na-2H]- 388.12577 188.6
[M]+ 367.15055 208.0
[M]- 367.15165 208.0
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