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

0
Patents

203.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.9
[M+Na]+ 226.09509 154.2
[M-H]- 202.09859 145.9
[M+NH4]+ 221.13969 161.5
[M+K]+ 242.06903 150.1
[M+H-H2O]+ 186.10313 136.3
[M+HCOO]- 248.10407 165.9
[M+CH3COO]- 262.11972 189.1
[M+Na-2H]- 224.08054 151.6
[M]+ 203.10532 144.6
[M]- 203.10642 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

No patent data available for this compound.