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

9
Patents

262.11063 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 159.7
[M+Na]+ 285.09985 166.8
[M-H]- 261.10335 166.9
[M+NH4]+ 280.14445 175.1
[M+K]+ 301.07379 160.7
[M+H-H2O]+ 245.10789 151.2
[M+HCOO]- 307.10883 182.3
[M+CH3COO]- 321.12448 171.3
[M+Na-2H]- 283.08530 162.5
[M]+ 262.11008 156.0
[M]- 262.11118 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