CID 44144479

Quinazopyrine

Structural Information

Molecular Formula
C19H17N5O
SMILES
CC1=C(C(=O)N(N1C2=CC=CC=C2)C)NC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C19H17N5O/c1-13-17(19(25)23(2)24(13)14-8-4-3-5-9-14)22-18-15-10-6-7-11-16(15)20-12-21-18/h3-12H,1-2H3,(H,20,21,22)
InChIKey
DXDFJGDFPHVRFF-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-phenyl-4-(quinazolin-4-ylamino)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

331.1433 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 179.7
[M+Na]+ 354.13252 191.6
[M-H]- 330.13602 186.7
[M+NH4]+ 349.17712 190.7
[M+K]+ 370.10646 183.8
[M+H-H2O]+ 314.14056 168.2
[M+HCOO]- 376.14150 201.3
[M+CH3COO]- 390.15715 190.8
[M+Na-2H]- 352.11797 185.3
[M]+ 331.14275 182.7
[M]- 331.14385 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.