CID 15956851

N-ethyl-5-(4-methoxyphenyl)-1-(3-nitro-2-pyridyl)pyrazole-3-carboxamide

Structural Information

Molecular Formula
C18H17N5O4
SMILES
CCNC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OC)C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N5O4/c1-3-19-18(24)14-11-16(12-6-8-13(27-2)9-7-12)22(21-14)17-15(23(25)26)5-4-10-20-17/h4-11H,3H2,1-2H3,(H,19,24)
InChIKey
LPVXTSNRNNMJOL-UHFFFAOYSA-N
Compound name
N-ethyl-5-(4-methoxyphenyl)-1-(3-nitropyridin-2-yl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.12805 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13533 183.5
[M+Na]+ 390.11727 189.4
[M-H]- 366.12077 190.3
[M+NH4]+ 385.16187 191.8
[M+K]+ 406.09121 181.1
[M+H-H2O]+ 350.12531 176.7
[M+HCOO]- 412.12625 205.9
[M+CH3COO]- 426.14190 212.2
[M+Na-2H]- 388.10272 188.4
[M]+ 367.12750 184.0
[M]- 367.12860 184.0
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.