CID 3042145

Methanone, (4-amino-5-phenyl-1h-pyrrol-3-yl)phenyl-, monohydrochloride

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)C2=C(C(=CN2)C(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C17H14N2O/c18-15-14(17(20)13-9-5-2-6-10-13)11-19-16(15)12-7-3-1-4-8-12/h1-11,19H,18H2
InChIKey
GJPQJTDUFPATRC-UHFFFAOYSA-N
Compound name
(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.11063 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.7
[M+Na]+ 285.099848 166.8
[M-H]- 261.103354 166.9
[M+NH4]+ 280.144453 175.1
[M+K]+ 301.073788 160.7
[M+H-H2O]+ 245.107890 151.2
[M+HCOO]- 307.108831 182.3
[M+CH3COO]- 321.124481 171.3
[M+Na-2H]- 283.085296 162.5
[M]+ 262.11008142 156.0
[M]- 262.11117858 156.0
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