CID 6864973

303107-80-4

Structural Information

Molecular Formula
C18H17N5O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=N3
InChI
InChI=1S/C18H17N5O2/c1-2-25-17-9-4-3-8-14(17)15-11-16(22-21-15)18(24)23-20-12-13-7-5-6-10-19-13/h3-12H,2H2,1H3,(H,21,22)(H,23,24)/b20-12+
InChIKey
MWMSYXWHFMDOTJ-UDWIEESQSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.145476 177.0
[M+Na]+ 358.127418 183.2
[M-H]- 334.130924 183.1
[M+NH4]+ 353.172023 187.0
[M+K]+ 374.101358 177.7
[M+H-H2O]+ 318.135460 165.5
[M+HCOO]- 380.136401 200.0
[M+CH3COO]- 394.152051 212.2
[M+Na-2H]- 356.112866 181.6
[M]+ 335.13765142 177.2
[M]- 335.13874858 177.2
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.