CID 218175

40284-19-3

Structural Information

Molecular Formula
C18H34N4S2
SMILES
C1CCCC(CC1)N=C(CSSCC(=NC2CCCCCC2)N)N
InChI
InChI=1S/C18H34N4S2/c19-17(21-15-9-5-1-2-6-10-15)13-23-24-14-18(20)22-16-11-7-3-4-8-12-16/h15-16H,1-14H2,(H2,19,21)(H2,20,22)
InChIKey
NTVNJWSRNAFWBH-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-cycloheptyliminoethyl)disulfanyl]-N'-cycloheptylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2225 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22978 195.5
[M+Na]+ 393.21172 190.8
[M-H]- 369.21522 200.6
[M+NH4]+ 388.25632 203.7
[M+K]+ 409.18566 193.4
[M+H-H2O]+ 353.21976 186.4
[M+HCOO]- 415.22070 201.1
[M+CH3COO]- 429.23635 228.2
[M+Na-2H]- 391.19717 189.3
[M]+ 370.22195 182.7
[M]- 370.22305 182.7
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.