CID 136611989

881839-93-6

Structural Information

Molecular Formula
C25H38N4O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CNC2=CC=CC=C21
InChI
InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(30)27-20-25(31)29-28-19-21-18-26-23-16-14-13-15-22(21)23/h13-16,18-19,26H,2-12,17,20H2,1H3,(H,27,30)(H,29,31)/b28-19+
InChIKey
SWXGTGNHWCECMP-TURZUDJPSA-N
Compound name
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.29947 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.30675 209.3
[M+Na]+ 449.28869 210.2
[M-H]- 425.29219 210.4
[M+NH4]+ 444.33329 219.5
[M+K]+ 465.26263 204.3
[M+H-H2O]+ 409.29673 199.0
[M+HCOO]- 471.29767 231.2
[M+CH3COO]- 485.31332 236.4
[M+Na-2H]- 447.27414 209.4
[M]+ 426.29892 213.6
[M]- 426.30002 213.6
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.