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 179.3
[M+Na]+ 369.09582 196.8
[M+NH4]+ 364.14042 185.5
[M+K]+ 385.06976 191.2
[M-H]- 345.09932 183.3
[M+Na-2H]- 367.08127 189.4
[M]+ 346.10605 183.0
[M]- 346.10715 183.0
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.