CID 3042149

Pyrrole-3-carboxamide, 4-amino-n,2-dimethyl-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2)N)C(=O)NC
InChI
InChI=1S/C13H15N3O/c1-8-10(13(17)15-2)11(14)12(16-8)9-6-4-3-5-7-9/h3-7,16H,14H2,1-2H3,(H,15,17)
InChIKey
FLDFXWKIFQMLIL-UHFFFAOYSA-N
Compound name
4-amino-N,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 152.2
[M+Na]+ 252.110718 159.8
[M-H]- 228.114224 156.7
[M+NH4]+ 247.155323 169.5
[M+K]+ 268.084658 155.4
[M+H-H2O]+ 212.118760 144.8
[M+HCOO]- 274.119701 175.8
[M+CH3COO]- 288.135351 193.3
[M+Na-2H]- 250.096166 154.4
[M]+ 229.12095142 149.2
[M]- 229.12204858 149.2
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.

Patent stripe

patents stripe