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]+ 244.11545 154.4
[M+Na]+ 266.09739 161.7
[M-H]- 242.10089 160.9
[M+NH4]+ 261.14199 172.1
[M+K]+ 282.07133 156.6
[M+H-H2O]+ 226.10543 147.3
[M+HCOO]- 288.10637 172.7
[M+CH3COO]- 302.12202 196.1
[M+Na-2H]- 264.08284 155.9
[M]+ 243.10762 154.6
[M]- 243.10872 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