CID 12337970

4-{[4-(propan-2-yl)phenyl]sulfanyl}aniline

Structural Information

Molecular Formula
C15H17NS
SMILES
CC(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)N
InChI
InChI=1S/C15H17NS/c1-11(2)12-3-7-14(8-4-12)17-15-9-5-13(16)6-10-15/h3-11H,16H2,1-2H3
InChIKey
SIIBXVIBBSAWCM-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylphenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.10817 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.115446 154.4
[M+Na]+ 266.097388 161.7
[M-H]- 242.100894 160.9
[M+NH4]+ 261.141993 172.1
[M+K]+ 282.071328 156.6
[M+H-H2O]+ 226.105430 147.3
[M+HCOO]- 288.106371 172.7
[M+CH3COO]- 302.122021 196.1
[M+Na-2H]- 264.082836 155.9
[M]+ 243.10762142 154.6
[M]- 243.10871858 154.6
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

patents stripe