CID 468768

Schembl8938251

Structural Information

Molecular Formula
C20H15ClN2O2S
SMILES
C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4
InChI
InChI=1S/C20H15ClN2O2S/c21-13-8-9-17-16(11-13)19(26-15-6-2-1-3-7-15)18(23-17)20(24)22-12-14-5-4-10-25-14/h1-11,23H,12H2,(H,22,24)
InChIKey
XSCMTMOIPIVBNK-UHFFFAOYSA-N
Compound name
5-chloro-N-(furan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

382.0543 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06158 188.8
[M+Na]+ 405.04352 199.4
[M-H]- 381.04702 199.1
[M+NH4]+ 400.08812 203.4
[M+K]+ 421.01746 192.7
[M+H-H2O]+ 365.05156 182.6
[M+HCOO]- 427.05250 203.2
[M+CH3COO]- 441.06815 200.1
[M+Na-2H]- 403.02897 189.1
[M]+ 382.05375 195.6
[M]- 382.05485 195.6
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.