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]+ 302.128796 170.4
[M+Na]+ 324.110738 174.9
[M-H]- 300.114244 179.6
[M+NH4]+ 319.155343 184.5
[M+K]+ 340.084678 169.7
[M+H-H2O]+ 284.118780 160.1
[M+HCOO]- 346.119721 196.2
[M+CH3COO]- 360.135371 207.7
[M+Na-2H]- 322.096186 174.7
[M]+ 301.12097142 168.2
[M]- 301.12206858 168.2
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

No patent data available for this compound.