CID 63536

Hpt 866

Structural Information

Molecular Formula
C12H17N3O
SMILES
CN(C)CCN1CNC(=O)C2=CC=CC=C21
InChI
InChI=1S/C12H17N3O/c1-14(2)7-8-15-9-13-12(16)10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,13,16)
InChIKey
JDTDCFWVINEWDH-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.2
[M+Na]+ 242.12638 156.7
[M-H]- 218.12988 151.5
[M+NH4]+ 237.17098 166.8
[M+K]+ 258.10032 153.7
[M+H-H2O]+ 202.13442 142.1
[M+HCOO]- 264.13536 168.6
[M+CH3COO]- 278.15101 193.0
[M+Na-2H]- 240.11183 155.9
[M]+ 219.13661 148.3
[M]- 219.13771 148.3
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.