CID 1554068

306749-74-6

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H20N4O2/c1-2-27-18-12-6-11-17(14-18)19-15-20(24-23-19)21(26)25-22-13-7-10-16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24)(H,25,26)/b10-7+,22-13+
InChIKey
NCDISEHGAIZTSP-QNUVFLEMSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 186.1
[M+Na]+ 383.14785 191.3
[M-H]- 359.15135 193.0
[M+NH4]+ 378.19245 196.4
[M+K]+ 399.12179 184.8
[M+H-H2O]+ 343.15589 174.9
[M+HCOO]- 405.15683 209.6
[M+CH3COO]- 419.17248 216.9
[M+Na-2H]- 381.13330 188.9
[M]+ 360.15808 185.9
[M]- 360.15918 185.9
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.