CID 3012606

1-(4-tridecylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C20H35N3S
SMILES
CCCCCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C20H35N3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-19-15-13-18(14-16-19)23-20(21)22/h13-16H,2-12,17H2,1H3,(H4,21,22,23)
InChIKey
GRXQKHQJNQSJAG-UHFFFAOYSA-N
Compound name
2-(4-tridecylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.25516 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26244 188.0
[M+Na]+ 372.24438 189.5
[M-H]- 348.24788 189.8
[M+NH4]+ 367.28898 200.9
[M+K]+ 388.21832 183.6
[M+H-H2O]+ 332.25242 178.8
[M+HCOO]- 394.25336 205.8
[M+CH3COO]- 408.26901 224.6
[M+Na-2H]- 370.22983 185.4
[M]+ 349.25461 190.4
[M]- 349.25571 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.