CID 135400188

54636-84-9

Structural Information

Molecular Formula
C29H36Cl4N4O2
SMILES
CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)N=C2CC(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C29H36Cl4N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27(38)34-21-14-15-22(31)25(18-21)35-26-19-28(39)37(36-26)29-23(32)16-20(30)17-24(29)33/h14-18H,2-13,19H2,1H3,(H,34,38)(H,35,36)
InChIKey
UDVIVSCMZQLZQL-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

143
Patents

612.15924 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.16652 244.8
[M+Na]+ 635.14846 256.3
[M+NH4]+ 630.19306 248.8
[M+K]+ 651.12240 246.9
[M-H]- 611.15196 247.7
[M+Na-2H]- 633.13391 247.3
[M]+ 612.15869 248.1
[M]- 612.15979 248.1
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

patents stripe