CID 14597110

82766-25-4

Structural Information

Molecular Formula
C20H43N3OS
SMILES
CCCCCCCCCCCCSCC(C)C(=O)NCCNCCN
InChI
InChI=1S/C20H43N3OS/c1-3-4-5-6-7-8-9-10-11-12-17-25-18-19(2)20(24)23-16-15-22-14-13-21/h19,22H,3-18,21H2,1-2H3,(H,23,24)
InChIKey
TUGMAMKNPZRQQK-UHFFFAOYSA-N
Compound name
N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

373.31268 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.31996 198.0
[M+Na]+ 396.30190 196.2
[M-H]- 372.30540 194.7
[M+NH4]+ 391.34650 209.2
[M+K]+ 412.27584 191.5
[M+H-H2O]+ 356.30994 188.9
[M+HCOO]- 418.31088 212.2
[M+CH3COO]- 432.32653 229.0
[M+Na-2H]- 394.28735 192.7
[M]+ 373.31213 202.2
[M]- 373.31323 202.2
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