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

2
Patents

245.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 155.5
[M+Na]+ 268.105638 164.3
[M-H]- 244.109144 159.9
[M+NH4]+ 263.150243 171.7
[M+K]+ 284.079578 161.1
[M+H-H2O]+ 228.113680 147.1
[M+HCOO]- 290.114621 178.4
[M+CH3COO]- 304.130271 195.4
[M+Na-2H]- 266.091086 157.6
[M]+ 245.11587142 156.9
[M]- 245.11696858 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