CID 2741478

Ethyl 1-(4-aminophenyl)-5-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C13H15N3O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3,14H2,1-2H3
InChIKey
ZYALVCIJPGMKHB-UHFFFAOYSA-N
Compound name
ethyl 1-(4-aminophenyl)-5-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 155.5
[M+Na]+ 268.10564 164.3
[M-H]- 244.10914 159.9
[M+NH4]+ 263.15024 171.7
[M+K]+ 284.07958 161.1
[M+H-H2O]+ 228.11368 147.1
[M+HCOO]- 290.11462 178.4
[M+CH3COO]- 304.13027 195.4
[M+Na-2H]- 266.09109 157.6
[M]+ 245.11587 156.9
[M]- 245.11697 156.9
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

patents stripe