CID 9889396

501364-82-5

Structural Information

Molecular Formula
C23H25N3O4S
SMILES
C1COCCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4
InChI
InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
InChIKey
LTZVLHHIAUKGBP-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

811
Patents

439.1566 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16388 198.9
[M+Na]+ 462.14582 205.4
[M-H]- 438.14932 203.9
[M+NH4]+ 457.19042 208.2
[M+K]+ 478.11976 199.7
[M+H-H2O]+ 422.15386 190.7
[M+HCOO]- 484.15480 206.9
[M+CH3COO]- 498.17045 206.3
[M+Na-2H]- 460.13127 203.4
[M]+ 439.15605 200.3
[M]- 439.15715 200.3
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