CID 3053775

N-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-4-methyl-1-piperazineacetamide tetrahydrochloride

Structural Information

Molecular Formula
C16H21N5O2
SMILES
CC1CN(CCN1CC(=O)N)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H21N5O2/c1-12-8-19(6-7-20(12)9-15(17)22)11-21-10-18-14-5-3-2-4-13(14)16(21)23/h2-5,10,12H,6-9,11H2,1H3,(H2,17,22)
InChIKey
MUAJHWNPJALXFV-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-[(4-oxoquinazolin-3-yl)methyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16953 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17681 177.4
[M+Na]+ 338.15875 184.3
[M-H]- 314.16225 178.6
[M+NH4]+ 333.20335 186.6
[M+K]+ 354.13269 178.8
[M+H-H2O]+ 298.16679 166.2
[M+HCOO]- 360.16773 191.0
[M+CH3COO]- 374.18338 210.5
[M+Na-2H]- 336.14420 180.0
[M]+ 315.16898 174.3
[M]- 315.17008 174.3
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.