CID 3081351

Du-14

Structural Information

Molecular Formula
C22H38N2O4S
SMILES
CCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N
InChI
InChI=1S/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
InChIKey
MBODHUVGZPZRBW-UHFFFAOYSA-N
Compound name
[4-[2-(tetradecanoylamino)ethyl]phenyl] sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

35
Patents

426.25522 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.26250 206.0
[M+Na]+ 449.24444 207.0
[M-H]- 425.24794 206.6
[M+NH4]+ 444.28904 215.2
[M+K]+ 465.21838 201.8
[M+H-H2O]+ 409.25248 196.8
[M+HCOO]- 471.25342 220.9
[M+CH3COO]- 485.26907 230.7
[M+Na-2H]- 447.22989 204.0
[M]+ 426.25467 212.6
[M]- 426.25577 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe