CID 113686

Usaf el-90

Structural Information

Molecular Formula
C18H38N4S2
SMILES
CN=C(N(C)C)SCCCCCCCCCCSC(=NC)N(C)C
InChI
InChI=1S/C18H38N4S2/c1-19-17(21(3)4)23-15-13-11-9-7-8-10-12-14-16-24-18(20-2)22(5)6/h7-16H2,1-6H3
InChIKey
NKWMFDQDTCHTKV-UHFFFAOYSA-N
Compound name
10-(N,N,N'-trimethylcarbamimidoyl)sulfanyldecyl N,N,N'-trimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26106 196.6
[M+Na]+ 397.24300 196.4
[M-H]- 373.24650 199.5
[M+NH4]+ 392.28760 210.7
[M+K]+ 413.21694 194.1
[M+H-H2O]+ 357.25104 186.2
[M+HCOO]- 419.25198 210.2
[M+CH3COO]- 433.26763 237.9
[M+Na-2H]- 395.22845 191.6
[M]+ 374.25323 204.4
[M]- 374.25433 204.4
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.