CID 6888737

634897-03-3

Structural Information

Molecular Formula
C29H30N4O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C
InChI
InChI=1S/C29H30N4O3/c1-3-4-17-35-25-13-9-22(10-14-25)19-30-33-29(34)28-18-27(31-32-28)24-11-15-26(16-12-24)36-20-23-7-5-21(2)6-8-23/h5-16,18-19H,3-4,17,20H2,1-2H3,(H,31,32)(H,33,34)/b30-19+
InChIKey
UTAHXMPBISBQKD-NDZAJKAJSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
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 218.8
[M+Na]+ 505.22100 222.5
[M-H]- 481.22450 228.4
[M+NH4]+ 500.26560 223.7
[M+K]+ 521.19494 215.5
[M+H-H2O]+ 465.22904 205.5
[M+HCOO]- 527.22998 240.4
[M+CH3COO]- 541.24563 242.3
[M+Na-2H]- 503.20645 218.5
[M]+ 482.23123 221.3
[M]- 482.23233 221.3
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.