CID 2888648

Kl001

Structural Information

Molecular Formula
C21H22N2O4S
SMILES
CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3
InChIKey
OQAFDLPAPSSOHY-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

26
Patents

398.13004 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13732 194.4
[M+Na]+ 421.11926 203.5
[M-H]- 397.12276 203.7
[M+NH4]+ 416.16386 208.7
[M+K]+ 437.09320 200.7
[M+H-H2O]+ 381.12730 188.2
[M+HCOO]- 443.12824 212.0
[M+CH3COO]- 457.14389 205.5
[M+Na-2H]- 419.10471 197.9
[M]+ 398.12949 204.3
[M]- 398.13059 204.3
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