CID 146332

Amphethinile

Structural Information

Molecular Formula
C15H11N3S
SMILES
C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N
InChI
InChI=1S/C15H11N3S/c16-9-13-12-8-11(6-7-14(12)18-15(13)17)19-10-4-2-1-3-5-10/h1-8,18H,17H2
InChIKey
LHNIUFUSFGYJEO-UHFFFAOYSA-N
Compound name
2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

843
Patents

265.06738 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07466 168.4
[M+Na]+ 288.05660 181.6
[M-H]- 264.06010 172.8
[M+NH4]+ 283.10120 184.5
[M+K]+ 304.03054 172.7
[M+H-H2O]+ 248.06464 155.1
[M+HCOO]- 310.06558 183.4
[M+CH3COO]- 324.08123 178.9
[M+Na-2H]- 286.04205 170.5
[M]+ 265.06683 164.2
[M]- 265.06793 164.2
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

patents stripe