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

3
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 142.2
[M+Na]+ 214.09509 151.9
[M-H]- 190.09859 144.1
[M+NH4]+ 209.13969 160.4
[M+K]+ 230.06903 148.5
[M+H-H2O]+ 174.10313 135.0
[M+HCOO]- 236.10407 161.6
[M+CH3COO]- 250.11972 187.9
[M+Na-2H]- 212.08054 147.6
[M]+ 191.10532 140.0
[M]- 191.10642 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