CID 5450555

302917-95-9

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)C
InChI
InChI=1S/C21H22N4O2/c1-4-27-18-7-5-6-17(12-18)19-13-20(24-23-19)21(26)25-22-15(3)16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,23,24)(H,25,26)/b22-15+
InChIKey
JKDRYCIWXJHJBJ-PXLXIMEGSA-N
Compound name
3-(3-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]+ 363.181576 187.7
[M+Na]+ 385.163518 193.1
[M-H]- 361.167024 195.1
[M+NH4]+ 380.208123 198.2
[M+K]+ 401.137458 187.9
[M+H-H2O]+ 345.171560 176.9
[M+HCOO]- 407.172501 210.0
[M+CH3COO]- 421.188151 220.4
[M+Na-2H]- 383.148966 188.7
[M]+ 362.17375142 188.2
[M]- 362.17484858 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.