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]+ 331.132006 178.1
[M+Na]+ 353.113948 186.1
[M-H]- 329.117454 181.0
[M+NH4]+ 348.158553 189.5
[M+K]+ 369.087888 179.4
[M+H-H2O]+ 313.121990 167.9
[M+HCOO]- 375.122931 189.9
[M+CH3COO]- 389.138581 187.3
[M+Na-2H]- 351.099396 181.7
[M]+ 330.12418142 178.7
[M]- 330.12527858 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.