CID 5880442

Nsc97750

Structural Information

Molecular Formula
C22H14N2O
SMILES
C1=CC=C(C=C1)N/N=C\2/C3=CC=CC4=C3C5=C(C=CC=C5C2=O)C=C4
InChI
InChI=1S/C22H14N2O/c25-22-18-11-5-7-15-13-12-14-6-4-10-17(19(14)20(15)18)21(22)24-23-16-8-2-1-3-9-16/h1-13,23H/b24-21-
InChIKey
BBGPNAYRLFLIKB-FLFQWRMESA-N
Compound name
(5Z)-5-(phenylhydrazinylidene)pyren-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.11063 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11791 172.0
[M+Na]+ 345.09985 181.4
[M-H]- 321.10335 181.5
[M+NH4]+ 340.14445 189.3
[M+K]+ 361.07379 174.6
[M+H-H2O]+ 305.10789 161.6
[M+HCOO]- 367.10883 196.3
[M+CH3COO]- 381.12448 184.0
[M+Na-2H]- 343.08530 184.0
[M]+ 322.11008 175.1
[M]- 322.11118 175.1
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.