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]+ 316.176806 177.4
[M+Na]+ 338.158748 184.3
[M-H]- 314.162254 178.6
[M+NH4]+ 333.203353 186.6
[M+K]+ 354.132688 178.8
[M+H-H2O]+ 298.166790 166.2
[M+HCOO]- 360.167731 191.0
[M+CH3COO]- 374.183381 210.5
[M+Na-2H]- 336.144196 180.0
[M]+ 315.16898142 174.3
[M]- 315.17007858 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.