CID 116330

64039-21-0

Structural Information

Molecular Formula
C16H34N4S2
SMILES
C(CCCCCCCSC(=N)N)CCCCCCSC(=N)N
InChI
InChI=1S/C16H34N4S2/c17-15(18)21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-16(19)20/h1-14H2,(H3,17,18)(H3,19,20)
InChIKey
IKAZUWYHTCHEFK-UHFFFAOYSA-N
Compound name
14-carbamimidoylsulfanyltetradecyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2225 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22978 180.2
[M+Na]+ 369.21172 179.4
[M-H]- 345.21522 176.3
[M+NH4]+ 364.25632 191.8
[M+K]+ 385.18566 172.3
[M+H-H2O]+ 329.21976 171.1
[M+HCOO]- 391.22070 189.6
[M+CH3COO]- 405.23635 222.3
[M+Na-2H]- 367.19717 175.4
[M]+ 346.22195 179.3
[M]- 346.22305 179.3
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.