CID 4189243

2,6-dimethyl-n4-hexadecyl-n4-(2-(methylsulfonylamino)ethyl)-1,4-phenylenediamine

Structural Information

Molecular Formula
C27H51N3O2S
SMILES
CCCCCCCCCCCCCCCCN(CCNS(=O)(=O)C)C1=CC(=C(C(=C1)C)N)C
InChI
InChI=1S/C27H51N3O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(21-19-29-33(4,31)32)26-22-24(2)27(28)25(3)23-26/h22-23,29H,5-21,28H2,1-4H3
InChIKey
XXCVIHQIUOANGS-UHFFFAOYSA-N
Compound name
N-[2-(4-amino-N-hexadecyl-3,5-dimethylanilino)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.3702 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.37748 224.9
[M+Na]+ 504.35942 225.1
[M-H]- 480.36292 226.5
[M+NH4]+ 499.40402 233.0
[M+K]+ 520.33336 219.2
[M+H-H2O]+ 464.36746 214.9
[M+HCOO]- 526.36840 239.8
[M+CH3COO]- 540.38405 252.7
[M+Na-2H]- 502.34487 219.9
[M]+ 481.36965 233.1
[M]- 481.37075 233.1
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

No patent data available for this compound.