CID 6869519

402604-33-5

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3OC
InChI
InChI=1S/C22H22N4O2/c1-3-16-10-12-17(13-11-16)19-15-20(25-24-19)22(27)26-23-14-6-8-18-7-4-5-9-21(18)28-2/h4-15H,3H2,1-2H3,(H,24,25)(H,26,27)/b8-6+,23-14+
InChIKey
ZTZMSHSZOIRDFZ-QLBRXNFHSA-N
Compound name
3-(4-ethylphenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1743 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 191.3
[M+Na]+ 397.16352 196.9
[M-H]- 373.16702 198.4
[M+NH4]+ 392.20812 201.4
[M+K]+ 413.13746 190.3
[M+H-H2O]+ 357.17156 180.1
[M+HCOO]- 419.17250 214.4
[M+CH3COO]- 433.18815 221.1
[M+Na-2H]- 395.14897 192.8
[M]+ 374.17375 191.9
[M]- 374.17485 191.9
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.