CID 9574350

Nsc356374

Structural Information

Molecular Formula
C23H16N4O2
SMILES
CN1C2=CC=CC=C2/C(=N/N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5)/C1=O
InChI
InChI=1S/C23H16N4O2/c1-26-19-14-8-6-12-17(19)20(23(26)29)25-27-21(15-9-3-2-4-10-15)24-18-13-7-5-11-16(18)22(27)28/h2-14H,1H3/b25-20-
InChIKey
JHBILHJSZIGTCL-QQTULTPQSA-N
Compound name
3-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12732 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13460 192.7
[M+Na]+ 403.11654 203.5
[M-H]- 379.12004 202.4
[M+NH4]+ 398.16114 204.1
[M+K]+ 419.09048 195.5
[M+H-H2O]+ 363.12458 180.4
[M+HCOO]- 425.12552 212.9
[M+CH3COO]- 439.14117 203.0
[M+Na-2H]- 401.10199 196.4
[M]+ 380.12677 194.2
[M]- 380.12787 194.2
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.