CID 57415931

6-amino-3,4-dihydro-1,3-dimethyl-2(1h)quinazolinone

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN1CC2=C(C=CC(=C2)N)N(C1=O)C
InChI
InChI=1S/C10H13N3O/c1-12-6-7-5-8(11)3-4-9(7)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKey
PLAPIGUFVSEGFT-UHFFFAOYSA-N
Compound name
6-amino-1,3-dimethyl-4H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 142.2
[M+Na]+ 214.095088 151.9
[M-H]- 190.098594 144.1
[M+NH4]+ 209.139693 160.4
[M+K]+ 230.069028 148.5
[M+H-H2O]+ 174.103130 135.0
[M+HCOO]- 236.104071 161.6
[M+CH3COO]- 250.119721 187.9
[M+Na-2H]- 212.080536 147.6
[M]+ 191.10532142 140.0
[M]- 191.10641858 140.0
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