CID 9648576

302917-87-9

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)C
InChI
InChI=1S/C21H22N4O2/c1-4-27-20-8-6-5-7-17(20)18-13-19(24-23-18)21(26)25-22-15(3)16-11-9-14(2)10-12-16/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)/b22-15+
InChIKey
ONUHWPRKKQAZOE-PXLXIMEGSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 187.7
[M+Na]+ 385.16352 193.1
[M-H]- 361.16702 195.1
[M+NH4]+ 380.20812 198.2
[M+K]+ 401.13746 187.9
[M+H-H2O]+ 345.17156 176.9
[M+HCOO]- 407.17250 210.0
[M+CH3COO]- 421.18815 220.4
[M+Na-2H]- 383.14897 188.7
[M]+ 362.17375 188.2
[M]- 362.17485 188.2
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.