CID 3012611

1-(4-benzylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C14H15N3S
SMILES
C1=CC=C(C=C1)CSC2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C14H15N3S/c15-14(16)17-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,15,16,17)
InChIKey
LQXDOTXMWUNGMD-UHFFFAOYSA-N
Compound name
2-(4-benzylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09866 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 156.5
[M+Na]+ 280.08788 162.4
[M-H]- 256.09138 163.3
[M+NH4]+ 275.13248 172.9
[M+K]+ 296.06182 157.1
[M+H-H2O]+ 240.09592 148.2
[M+HCOO]- 302.09686 178.0
[M+CH3COO]- 316.11251 202.3
[M+Na-2H]- 278.07333 159.8
[M]+ 257.09811 154.5
[M]- 257.09921 154.5
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.