CID 392519

Nsc693035

Structural Information

Molecular Formula
C18H15NO4S
SMILES
COC(=O)C(=C)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO4S/c1-13(18(20)23-2)17-12-14-8-6-7-11-16(14)19(17)24(21,22)15-9-4-3-5-10-15/h3-12H,1H2,2H3
InChIKey
XUYDGZPYHLHIDJ-UHFFFAOYSA-N
Compound name
methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.07217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07945 178.9
[M+Na]+ 364.06139 188.6
[M-H]- 340.06489 186.3
[M+NH4]+ 359.10599 194.2
[M+K]+ 380.03533 184.0
[M+H-H2O]+ 324.06943 172.0
[M+HCOO]- 386.07037 195.6
[M+CH3COO]- 400.08602 206.4
[M+Na-2H]- 362.04684 181.2
[M]+ 341.07162 185.3
[M]- 341.07272 185.3
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.