CID 5387378

Nsc623025

Structural Information

Molecular Formula
C21H17N3O
SMILES
CN1C2=CC=CC=C2/C(=N/N(C3=CC=CC=C3)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C21H17N3O/c1-23-19-15-9-8-14-18(19)20(21(23)25)22-24(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-
InChIKey
GBHDVBKJGALDHX-XDOYNYLZSA-N
Compound name
(3Z)-3-(diphenylhydrazinylidene)-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.13718 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 176.7
[M+Na]+ 350.12640 183.8
[M-H]- 326.12990 188.6
[M+NH4]+ 345.17100 192.1
[M+K]+ 366.10034 178.6
[M+H-H2O]+ 310.13444 166.1
[M+HCOO]- 372.13538 202.3
[M+CH3COO]- 386.15103 188.4
[M+Na-2H]- 348.11185 181.2
[M]+ 327.13663 176.8
[M]- 327.13773 176.8
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