CID 136632206

Akos024331486

Structural Information

Molecular Formula
C20H15N3O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C\C3=C(C4=CC=CC=C4C=C3)O
InChI
InChI=1S/C20H15N3O2/c1-13-22-18-9-5-4-8-17(18)20(25)23(13)21-12-15-11-10-14-6-2-3-7-16(14)19(15)24/h2-12,24H,1H3/b21-12-
InChIKey
NSAWECSBDKFMHX-MTJSOVHGSA-N
Compound name
3-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11642 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.8
[M+Na]+ 352.10564 189.4
[M-H]- 328.10914 184.6
[M+NH4]+ 347.15024 190.9
[M+K]+ 368.07958 182.2
[M+H-H2O]+ 312.11368 167.0
[M+HCOO]- 374.11462 199.6
[M+CH3COO]- 388.13027 189.2
[M+Na-2H]- 350.09109 186.6
[M]+ 329.11587 181.1
[M]- 329.11697 181.1
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.