CID 136627456

Akos024330852

Structural Information

Molecular Formula
C19H15N3O
SMILES
C1=CC=C(C=C1)/C(=N\N=C/C2=CC=CN2)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15N3O/c23-19(16-10-5-2-6-11-16)18(15-8-3-1-4-9-15)22-21-14-17-12-7-13-20-17/h1-14,20H/b21-14-,22-18+
InChIKey
WNAQOMTZMFKMPR-IFYUEPPWSA-N
Compound name
(2E)-1,2-diphenyl-2-[(Z)-1H-pyrrol-2-ylmethylidenehydrazinylidene]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12152 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 172.6
[M+Na]+ 324.11074 185.1
[M+NH4]+ 319.15534 180.1
[M+K]+ 340.08468 178.7
[M-H]- 300.11424 178.9
[M+Na-2H]- 322.09619 183.3
[M]+ 301.12097 176.0
[M]- 301.12207 176.0
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.