CID 3137930

354539-34-7

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC1(CC2=C(C(=O)C1)C(=NC=N2)N)C
InChI
InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKey
DYPFWRCGECJCBK-UHFFFAOYSA-N
Compound name
4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

191.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 141.3
[M+Na]+ 214.095088 151.0
[M-H]- 190.098594 143.1
[M+NH4]+ 209.139693 161.2
[M+K]+ 230.069028 147.9
[M+H-H2O]+ 174.103130 134.4
[M+HCOO]- 236.104071 160.7
[M+CH3COO]- 250.119721 186.2
[M+Na-2H]- 212.080536 148.6
[M]+ 191.10532142 139.0
[M]- 191.10641858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe