CID 45054996

765909-82-8

Structural Information

Molecular Formula
C29H30N4O3
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(C=C3)OCCC)C4=CC=CC=C4
InChI
InChI=1S/C29H30N4O3/c1-3-18-35-26-14-10-22(11-15-26)28-24(21-33(32-28)25-8-6-5-7-9-25)20-30-31-29(34)23-12-16-27(17-13-23)36-19-4-2/h5-17,20-21H,3-4,18-19H2,1-2H3,(H,31,34)/b30-20+
InChIKey
DAZCWEYAPNIFHJ-TWKHWXDSSA-N
Compound name
N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.23178 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.23906 219.7
[M+Na]+ 505.22100 223.7
[M-H]- 481.22450 230.6
[M+NH4]+ 500.26560 225.2
[M+K]+ 521.19494 217.5
[M+H-H2O]+ 465.22904 206.0
[M+HCOO]- 527.22998 242.6
[M+CH3COO]- 541.24563 244.4
[M+Na-2H]- 503.20645 219.6
[M]+ 482.23123 223.9
[M]- 482.23233 223.9
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.