CID 24968306

3-[5-(aminomethyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl]piperidine-2,6-dione hydrochloride

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)CN
InChI
InChI=1S/C15H16N4O3/c1-8-17-10-4-2-3-9(7-16)13(10)15(22)19(8)11-5-6-12(20)18-14(11)21/h2-4,11H,5-7,16H2,1H3,(H,18,20,21)
InChIKey
HCURPBAIZBBHPW-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

300.12225 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 171.5
[M+Na]+ 323.11147 180.8
[M-H]- 299.11497 173.8
[M+NH4]+ 318.15607 182.6
[M+K]+ 339.08541 174.7
[M+H-H2O]+ 283.11951 162.0
[M+HCOO]- 345.12045 186.8
[M+CH3COO]- 359.13610 205.7
[M+Na-2H]- 321.09692 173.9
[M]+ 300.12170 168.0
[M]- 300.12280 168.0
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

patents stripe