CID 11384493

Tm30089

Structural Information

Molecular Formula
C21H21FN2O4S
SMILES
CN(C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
InChIKey
CANCTKXGRVNXFP-UHFFFAOYSA-N
Compound name
2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

27
Patents

416.1206 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12788 192.9
[M+Na]+ 439.10982 203.6
[M+NH4]+ 434.15442 199.0
[M+K]+ 455.08376 198.1
[M-H]- 415.11332 194.4
[M+Na-2H]- 437.09527 197.5
[M]+ 416.12005 195.1
[M]- 416.12115 195.1
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