CID 2867399

324773-82-2

Structural Information

Molecular Formula
C27H30N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O
InChI
InChI=1S/C27H30N2O4S/c1-20-12-14-23(15-13-20)34(31,32)28(19-22-7-6-16-33-22)17-21(30)18-29-26-10-4-2-8-24(26)25-9-3-5-11-27(25)29/h2-5,8-15,21-22,30H,6-7,16-19H2,1H3
InChIKey
DEYPIWBDRZQCCL-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.19263 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19991 214.1
[M+Na]+ 501.18185 219.5
[M-H]- 477.18535 225.0
[M+NH4]+ 496.22645 224.5
[M+K]+ 517.15579 216.1
[M+H-H2O]+ 461.18989 207.0
[M+HCOO]- 523.19083 226.8
[M+CH3COO]- 537.20648 222.4
[M+Na-2H]- 499.16730 213.9
[M]+ 478.19208 219.7
[M]- 478.19318 219.7
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

No patent data available for this compound.