CID 9646154

N'-(4-fluorobenzylidene)-3-(4-(octyloxy)phenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H29FN4O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C25H29FN4O2/c1-2-3-4-5-6-7-16-32-22-14-10-20(11-15-22)23-17-24(29-28-23)25(31)30-27-18-19-8-12-21(26)13-9-19/h8-15,17-18H,2-7,16H2,1H3,(H,28,29)(H,30,31)/b27-18+
InChIKey
DGPDGIZTESTHKZ-OVVQPSECSA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.22745 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.23473 206.9
[M+Na]+ 459.21667 210.8
[M-H]- 435.22017 211.9
[M+NH4]+ 454.26127 214.3
[M+K]+ 475.19061 203.6
[M+H-H2O]+ 419.22471 194.0
[M+HCOO]- 481.22565 227.7
[M+CH3COO]- 495.24130 233.8
[M+Na-2H]- 457.20212 206.4
[M]+ 436.22690 208.2
[M]- 436.22800 208.2
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.