CID 3076455

Brn 3626100

Structural Information

Molecular Formula
C14H12N4O3
SMILES
CN1C(=C(C=N1)C(=O)OC)N2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H12N4O3/c1-17-12(10(7-16-17)14(20)21-2)18-8-15-11-6-4-3-5-9(11)13(18)19/h3-8H,1-2H3
InChIKey
UTUIJKXKXKFFID-UHFFFAOYSA-N
Compound name
methyl 1-methyl-5-(4-oxoquinazolin-3-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 163.0
[M+Na]+ 307.08016 175.6
[M-H]- 283.08366 167.1
[M+NH4]+ 302.12476 176.5
[M+K]+ 323.05410 171.0
[M+H-H2O]+ 267.08820 153.3
[M+HCOO]- 329.08914 183.8
[M+CH3COO]- 343.10479 175.4
[M+Na-2H]- 305.06561 168.1
[M]+ 284.09039 168.7
[M]- 284.09149 168.7
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.