CID 63938

88514-41-4

Structural Information

Molecular Formula
C23H16N4O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])CN4C=NC5=CC=CC=C5C4=O
InChI
InChI=1S/C23H16N4O3/c28-23-18-9-2-3-10-20(18)24-14-26(23)13-19-17-8-1-4-11-21(17)25-22(19)15-6-5-7-16(12-15)27(29)30/h1-12,14,25H,13H2
InChIKey
NWYWKKLXUAHCOA-UHFFFAOYSA-N
Compound name
3-[[2-(3-nitrophenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.12225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12953 192.6
[M+Na]+ 419.11147 200.8
[M-H]- 395.11497 200.0
[M+NH4]+ 414.15607 200.9
[M+K]+ 435.08541 188.4
[M+H-H2O]+ 379.11951 185.0
[M+HCOO]- 441.12045 211.6
[M+CH3COO]- 455.13610 214.7
[M+Na-2H]- 417.09692 200.1
[M]+ 396.12170 192.0
[M]- 396.12280 192.0
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.