CID 3012610

1-[4-(p-tolylsulfanyl)phenyl]guanidine

Structural Information

Molecular Formula
C14H15N3S
SMILES
CC1=CC=C(C=C1)SC2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C14H15N3S/c1-10-2-6-12(7-3-10)18-13-8-4-11(5-9-13)17-14(15)16/h2-9H,1H3,(H4,15,16,17)
InChIKey
DBHGZFHPHXVHFI-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)sulfanylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 157.2
[M+Na]+ 280.08788 163.9
[M-H]- 256.09138 164.4
[M+NH4]+ 275.13248 173.9
[M+K]+ 296.06182 158.7
[M+H-H2O]+ 240.09592 149.1
[M+HCOO]- 302.09686 178.6
[M+CH3COO]- 316.11251 203.5
[M+Na-2H]- 278.07333 159.6
[M]+ 257.09811 155.6
[M]- 257.09921 155.6
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.