CID 3012603

1-(4-decylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C17H29N3S
SMILES
CCCCCCCCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C17H29N3S/c1-2-3-4-5-6-7-8-9-14-21-16-12-10-15(11-13-16)20-17(18)19/h10-13H,2-9,14H2,1H3,(H4,18,19,20)
InChIKey
RQTBCMUOKWVRSO-UHFFFAOYSA-N
Compound name
2-(4-decylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.20822 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21550 175.5
[M+Na]+ 330.19744 178.3
[M-H]- 306.20094 177.9
[M+NH4]+ 325.24204 190.1
[M+K]+ 346.17138 173.1
[M+H-H2O]+ 290.20548 166.8
[M+HCOO]- 352.20642 194.2
[M+CH3COO]- 366.22207 215.7
[M+Na-2H]- 328.18289 174.2
[M]+ 307.20767 176.8
[M]- 307.20877 176.8
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.