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 164.8
[M+Na]+ 329.02599 167.1
[M+NH4]+ 324.07059 168.8
[M+K]+ 344.99993 168.4
[M-H]- 305.02949 166.3
[M+Na-2H]- 327.01144 168.2
[M]+ 306.03622 164.2
[M]- 306.03732 164.2
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.

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No patent data available for this compound.