CID 3076456

Brn 3629517

Structural Information

Molecular Formula
C19H14N4O3
SMILES
COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H14N4O3/c1-26-19(25)15-11-21-23(13-7-3-2-4-8-13)17(15)22-12-20-16-10-6-5-9-14(16)18(22)24/h2-12H,1H3
InChIKey
GTTFCVNGGANCRZ-UHFFFAOYSA-N
Compound name
methyl 5-(4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11388 180.7
[M+Na]+ 369.09582 191.9
[M-H]- 345.09932 187.5
[M+NH4]+ 364.14042 190.7
[M+K]+ 385.06976 185.7
[M+H-H2O]+ 329.10386 169.0
[M+HCOO]- 391.10480 200.6
[M+CH3COO]- 405.12045 191.5
[M+Na-2H]- 367.08127 185.2
[M]+ 346.10605 185.1
[M]- 346.10715 185.1
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.