CID 7109514

634894-58-9

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H24N4O3/c1-4-13-29-19-11-7-17(8-12-19)20-14-21(25-24-20)22(27)26-23-15(2)16-5-9-18(28-3)10-6-16/h5-12,14H,4,13H2,1-3H3,(H,24,25)(H,26,27)/b23-15+
InChIKey
DRQWQIZAORUFTL-HZHRSRAPSA-N
Compound name
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.192116 194.5
[M+Na]+ 415.174058 199.2
[M-H]- 391.177564 201.7
[M+NH4]+ 410.218663 203.6
[M+K]+ 431.147998 194.5
[M+H-H2O]+ 375.182100 183.3
[M+HCOO]- 437.183041 216.6
[M+CH3COO]- 451.198691 225.5
[M+Na-2H]- 413.159506 195.1
[M]+ 392.18429142 196.7
[M]- 392.18538858 196.7
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.