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]+ 375.181576 191.3
[M+Na]+ 397.163518 196.9
[M-H]- 373.167024 198.4
[M+NH4]+ 392.208123 201.4
[M+K]+ 413.137458 190.3
[M+H-H2O]+ 357.171560 180.1
[M+HCOO]- 419.172501 214.4
[M+CH3COO]- 433.188151 221.1
[M+Na-2H]- 395.148966 192.8
[M]+ 374.17375142 191.9
[M]- 374.17484858 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.