CID 24844195

3-ethoxyformamido-4-phenylpyrazole

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CCOC(=O)NC1=C(C=NN1)C2=CC=CC=C2
InChI
InChI=1S/C12H13N3O2/c1-2-17-12(16)14-11-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKey
LRWHRLZEADQIOS-UHFFFAOYSA-N
Compound name
ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.8
[M+Na]+ 254.08999 157.7
[M-H]- 230.09349 153.8
[M+NH4]+ 249.13459 166.6
[M+K]+ 270.06393 154.3
[M+H-H2O]+ 214.09803 142.2
[M+HCOO]- 276.09897 173.2
[M+CH3COO]- 290.11462 187.5
[M+Na-2H]- 252.07544 155.5
[M]+ 231.10022 150.1
[M]- 231.10132 150.1
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

patents stripe