CID 94703

92400-09-4

Structural Information

Molecular Formula
C24H49N3OS
SMILES
CCCCCCCCCCCCSCC(C)C(=O)NCCN1CCNC1C(C)C
InChI
InChI=1S/C24H49N3OS/c1-5-6-7-8-9-10-11-12-13-14-19-29-20-22(4)24(28)26-16-18-27-17-15-25-23(27)21(2)3/h21-23,25H,5-20H2,1-4H3,(H,26,28)
InChIKey
MQAYLWPIQBLFRF-UHFFFAOYSA-N
Compound name
3-dodecylsulfanyl-2-methyl-N-[2-(2-propan-2-ylimidazolidin-1-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.35962 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.36690 214.7
[M+Na]+ 450.34884 212.8
[M-H]- 426.35234 211.0
[M+NH4]+ 445.39344 223.3
[M+K]+ 466.32278 207.5
[M+H-H2O]+ 410.35688 205.3
[M+HCOO]- 472.35782 221.2
[M+CH3COO]- 486.37347 231.9
[M+Na-2H]- 448.33429 204.4
[M]+ 427.35907 217.8
[M]- 427.36017 217.8
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.