CID 63822

4(3h)-quinazolinone, 3-(morpholinomethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1COCCN1CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H15N3O2/c17-13-11-3-1-2-4-12(11)14-9-16(13)10-15-5-7-18-8-6-15/h1-4,9H,5-8,10H2
InChIKey
RQWHVRGWJQHJQT-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 155.2
[M+Na]+ 268.105638 162.7
[M-H]- 244.109144 158.6
[M+NH4]+ 263.150243 167.6
[M+K]+ 284.079578 159.6
[M+H-H2O]+ 228.113680 144.7
[M+HCOO]- 290.114621 170.8
[M+CH3COO]- 304.130271 165.9
[M+Na-2H]- 266.091086 162.7
[M]+ 245.11587142 153.2
[M]- 245.11696858 153.2
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.