CID 9682697

N-(2-(2-(2,3-dichlorobenzylidene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C23H35Cl2N3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C23H35Cl2N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(29)26-18-22(30)28-27-17-19-14-13-15-20(24)23(19)25/h13-15,17H,2-12,16,18H2,1H3,(H,26,29)(H,28,30)/b27-17+
InChIKey
WABOZKXRTSDOPT-WPWMEQJKSA-N
Compound name
N-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.21063 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.21791 216.4
[M+Na]+ 478.19985 219.1
[M-H]- 454.20335 218.6
[M+NH4]+ 473.24445 226.6
[M+K]+ 494.17379 211.6
[M+H-H2O]+ 438.20789 208.7
[M+HCOO]- 500.20883 230.3
[M+CH3COO]- 514.22448 241.4
[M+Na-2H]- 476.18530 213.4
[M]+ 455.21008 224.3
[M]- 455.21118 224.3
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.