CID 63849

Hpt 908

Structural Information

Molecular Formula
C17H19ClN4O
SMILES
CN(C)CCN1C(NC(=O)C2=C1C=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C17H19ClN4O/c1-21(2)9-10-22-15-11-12(18)6-7-13(15)17(23)20-16(22)14-5-3-4-8-19-14/h3-8,11,16H,9-10H2,1-2H3,(H,20,23)
InChIKey
GSJJGWARTZANHF-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13201 178.1
[M+Na]+ 353.11395 186.1
[M-H]- 329.11745 181.0
[M+NH4]+ 348.15855 189.5
[M+K]+ 369.08789 179.4
[M+H-H2O]+ 313.12199 167.9
[M+HCOO]- 375.12293 189.9
[M+CH3COO]- 389.13858 187.3
[M+Na-2H]- 351.09940 181.7
[M]+ 330.12418 178.7
[M]- 330.12528 178.7
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.