CID 6888481

N'-(4-butoxybenzylidene)-3-(4-((2-cl-benzyl)oxy)ph)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C28H27ClN4O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl
InChI
InChI=1S/C28H27ClN4O3/c1-2-3-16-35-23-12-8-20(9-13-23)18-30-33-28(34)27-17-26(31-32-27)21-10-14-24(15-11-21)36-19-22-6-4-5-7-25(22)29/h4-15,17-18H,2-3,16,19H2,1H3,(H,31,32)(H,33,34)/b30-18+
InChIKey
FLIXGIQVHZVTJH-UXHLAJHPSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.17715 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.18443 222.0
[M+Na]+ 525.16637 226.9
[M-H]- 501.16987 231.5
[M+NH4]+ 520.21097 227.0
[M+K]+ 541.14031 218.7
[M+H-H2O]+ 485.17441 209.1
[M+HCOO]- 547.17535 239.3
[M+CH3COO]- 561.19100 242.7
[M+Na-2H]- 523.15182 221.6
[M]+ 502.17660 226.7
[M]- 502.17770 226.7
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.