CID 225420

Nsc14742

Structural Information

Molecular Formula
C18H16N4O
SMILES
CC1NC2=C(C=CC3=C2C=CC=N3)C(=O)N1NC4=CC=CC=C4
InChI
InChI=1S/C18H16N4O/c1-12-20-17-14-8-5-11-19-16(14)10-9-15(17)18(23)22(12)21-13-6-3-2-4-7-13/h2-12,20-21H,1H3
InChIKey
DASQVJOEXDOYLX-UHFFFAOYSA-N
Compound name
3-anilino-2-methyl-1,2-dihydropyrido[2,3-h]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 171.9
[M+Na]+ 327.12164 180.0
[M-H]- 303.12514 174.7
[M+NH4]+ 322.16624 183.5
[M+K]+ 343.09558 172.4
[M+H-H2O]+ 287.12968 161.0
[M+HCOO]- 349.13062 187.1
[M+CH3COO]- 363.14627 181.1
[M+Na-2H]- 325.10709 179.3
[M]+ 304.13187 168.1
[M]- 304.13297 168.1
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.