CID 135427619

2-[(methylamino)methyl]-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C10H11N3O
SMILES
CNCC1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H11N3O/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5,11H,6H2,1H3,(H,12,13,14)
InChIKey
DMJLEOHAYHKRRH-UHFFFAOYSA-N
Compound name
2-(methylaminomethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

189.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 138.7
[M+Na]+ 212.07943 148.1
[M-H]- 188.08293 139.6
[M+NH4]+ 207.12403 156.1
[M+K]+ 228.05337 143.6
[M+H-H2O]+ 172.08747 131.3
[M+HCOO]- 234.08841 160.2
[M+CH3COO]- 248.10406 183.0
[M+Na-2H]- 210.06488 148.3
[M]+ 189.08966 137.8
[M]- 189.09076 137.8
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