CID 63733

Brn 0158353

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCO
InChI
InChI=1S/C11H12N2O2/c1-8-12-10-5-3-2-4-9(10)11(15)13(8)6-7-14/h2-5,14H,6-7H2,1H3
InChIKey
JRXGAWVXJUVHTD-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

204.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.8
[M+Na]+ 227.07909 153.5
[M-H]- 203.08259 144.0
[M+NH4]+ 222.12369 160.2
[M+K]+ 243.05303 149.5
[M+H-H2O]+ 187.08713 135.6
[M+HCOO]- 249.08807 163.1
[M+CH3COO]- 263.10372 184.4
[M+Na-2H]- 225.06454 150.6
[M]+ 204.08932 144.8
[M]- 204.09042 144.8
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