CID 5336801

Stl024788

Structural Information

Molecular Formula
C18H17N5O2
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CN=CC=C3
InChI
InChI=1S/C18H17N5O2/c1-2-25-15-7-5-14(6-8-15)16-10-17(22-21-16)18(24)23-20-12-13-4-3-9-19-11-13/h3-12H,2H2,1H3,(H,21,22)(H,23,24)/b20-12+
InChIKey
NJQMCOWAICXTKG-UDWIEESQSA-N
Compound name
3-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14548 177.0
[M+Na]+ 358.12742 183.2
[M-H]- 334.13092 183.1
[M+NH4]+ 353.17202 187.0
[M+K]+ 374.10136 177.7
[M+H-H2O]+ 318.13546 165.5
[M+HCOO]- 380.13640 200.0
[M+CH3COO]- 394.15205 212.2
[M+Na-2H]- 356.11287 181.6
[M]+ 335.13765 177.2
[M]- 335.13875 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.