CID 3087535

Methanesulfonamide, n-(5,6,7,8,9,10-hexahydrocyclohept(b)indol-4-yl)-1,1,1-trifluoro-

Structural Information

Molecular Formula
C14H15F3N2O2S
SMILES
C1CCC2=C(CC1)NC3=C2C=CC=C3NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C14H15F3N2O2S/c15-14(16,17)22(20,21)19-12-8-4-6-10-9-5-2-1-3-7-11(9)18-13(10)12/h4,6,8,18-19H,1-3,5,7H2
InChIKey
WWMXPOJFOPXKKM-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-4-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08063 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08791 166.6
[M+Na]+ 355.06985 173.9
[M-H]- 331.07335 167.2
[M+NH4]+ 350.11445 181.8
[M+K]+ 371.04379 172.6
[M+H-H2O]+ 315.07789 159.6
[M+HCOO]- 377.07883 176.2
[M+CH3COO]- 391.09448 204.1
[M+Na-2H]- 353.05530 171.1
[M]+ 332.08008 161.0
[M]- 332.08118 161.0
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.