CID 6889205

634896-56-3

Structural Information

Molecular Formula
C29H24N4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H24N4O2/c1-20-9-11-21(12-10-20)19-35-25-15-13-23(14-16-25)27-17-28(32-31-27)29(34)33-30-18-24-7-4-6-22-5-2-3-8-26(22)24/h2-18H,19H2,1H3,(H,31,32)(H,33,34)/b30-18+
InChIKey
ZUJYLJASRSTVOL-UXHLAJHPSA-N
Compound name
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1899 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19718 215.6
[M+Na]+ 483.17912 232.2
[M+NH4]+ 478.22372 222.4
[M+K]+ 499.15306 223.4
[M-H]- 459.18262 224.6
[M+Na-2H]- 481.16457 227.5
[M]+ 460.18935 220.6
[M]- 460.19045 220.6
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.