CID 63534

Hpt 870

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
CN(C)CCN1CNC(=O)C2=C1C=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN3O/c1-15(2)5-6-16-8-14-12(17)10-4-3-9(13)7-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKey
MFSUSECZMMVVIT-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(dimethylamino)ethyl]-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09819 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 156.4
[M+Na]+ 276.08741 164.5
[M-H]- 252.09091 157.7
[M+NH4]+ 271.13201 172.7
[M+K]+ 292.06135 159.8
[M+H-H2O]+ 236.09545 149.1
[M+HCOO]- 298.09639 170.1
[M+CH3COO]- 312.11204 198.0
[M+Na-2H]- 274.07286 160.8
[M]+ 253.09764 156.8
[M]- 253.09874 156.8
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.