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]+ 437.234726 206.9
[M+Na]+ 459.216668 210.8
[M-H]- 435.220174 211.9
[M+NH4]+ 454.261273 214.3
[M+K]+ 475.190608 203.6
[M+H-H2O]+ 419.224710 194.0
[M+HCOO]- 481.225651 227.7
[M+CH3COO]- 495.241301 233.8
[M+Na-2H]- 457.202116 206.4
[M]+ 436.22690142 208.2
[M]- 436.22799858 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.