CID 18097956

4-bromo-n-methyl-n-[(2-methylphenyl)methyl]-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
CC1=CC=CC=C1CN(C)C(=O)C2=CC(=CN2)Br
InChI
InChI=1S/C14H15BrN2O/c1-10-5-3-4-6-11(10)9-17(2)14(18)13-7-12(15)8-16-13/h3-8,16H,9H2,1-2H3
InChIKey
VRDBGVQTDPAVKD-UHFFFAOYSA-N
Compound name
4-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03677 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 164.6
[M+Na]+ 329.02599 174.7
[M-H]- 305.02949 172.7
[M+NH4]+ 324.07059 183.4
[M+K]+ 344.99993 163.2
[M+H-H2O]+ 289.03403 162.8
[M+HCOO]- 351.03497 185.4
[M+CH3COO]- 365.05062 202.9
[M+Na-2H]- 327.01144 167.6
[M]+ 306.03622 183.0
[M]- 306.03732 183.0
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

No patent data available for this compound.