CID 12608142

3-(2-aminoethyl)-2-methyl-3,4-dihydroquinazolin-4-one dihydrochloride

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCN
InChI
InChI=1S/C11H13N3O/c1-8-13-10-5-3-2-4-9(10)11(15)14(8)7-6-12/h2-5H,6-7,12H2,1H3
InChIKey
BHBLUWURPUFBDS-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.9
[M+Na]+ 226.095088 154.2
[M-H]- 202.098594 145.9
[M+NH4]+ 221.139693 161.5
[M+K]+ 242.069028 150.1
[M+H-H2O]+ 186.103130 136.3
[M+HCOO]- 248.104071 165.9
[M+CH3COO]- 262.119721 189.1
[M+Na-2H]- 224.080536 151.6
[M]+ 203.10532142 144.6
[M]- 203.10641858 144.6
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

patents stripe