CID 2953180

325986-11-6

Structural Information

Molecular Formula
C22H21FN2O3S
SMILES
CS(=O)(=O)N(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H21FN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKey
CSDGEIZSUNESQD-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

412.1257 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13298 193.3
[M+Na]+ 435.11492 205.7
[M+NH4]+ 430.15952 200.2
[M+K]+ 451.08886 198.8
[M-H]- 411.11842 195.9
[M+Na-2H]- 433.10037 199.9
[M]+ 412.12515 196.3
[M]- 412.12625 196.3
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