CID 496009

Nsc676579

Structural Information

Molecular Formula
C23H24N2O6S
SMILES
COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC=C
InChI
InChI=1S/C23H24N2O6S/c1-4-14-23-15-19(20(26)30-2)24(22(27)31-3)21(23)25(18-13-9-8-12-17(18)23)32(28,29)16-10-6-5-7-11-16/h4-13,19,21H,1,14-15H2,2-3H3
InChIKey
CEXFEIWQCNJDFJ-UHFFFAOYSA-N
Compound name
dimethyl 4-(benzenesulfonyl)-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14278 209.4
[M+Na]+ 479.12472 217.0
[M-H]- 455.12822 215.5
[M+NH4]+ 474.16932 223.3
[M+K]+ 495.09866 213.5
[M+H-H2O]+ 439.13276 203.6
[M+HCOO]- 501.13370 219.9
[M+CH3COO]- 515.14935 226.8
[M+Na-2H]- 477.11017 208.4
[M]+ 456.13495 216.8
[M]- 456.13605 216.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.