CID 3052771

Quinezamide

Structural Information

Molecular Formula
C13H12N4O
SMILES
CC1=NC2=CC=CC=C2C3=C(C=NN13)NC(=O)C
InChI
InChI=1S/C13H12N4O/c1-8-15-11-6-4-3-5-10(11)13-12(16-9(2)18)7-14-17(8)13/h3-7H,1-2H3,(H,16,18)
InChIKey
JTIDKHDQCMBOEG-UHFFFAOYSA-N
Compound name
N-(5-methylpyrazolo[1,5-c]quinazolin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

240.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 153.0
[M+Na]+ 263.09032 164.4
[M-H]- 239.09382 155.7
[M+NH4]+ 258.13492 170.7
[M+K]+ 279.06426 159.7
[M+H-H2O]+ 223.09836 144.7
[M+HCOO]- 285.09930 174.6
[M+CH3COO]- 299.11495 165.8
[M+Na-2H]- 261.07577 160.7
[M]+ 240.10055 156.2
[M]- 240.10165 156.2
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.