CID 393316

Nsc694981

Structural Information

Molecular Formula
C14H17N3O5S
SMILES
CC1=CNC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC
InChI
InChI=1S/C14H17N3O5S/c1-5-6-16(23(4,20)21)10-7-11(22-3)13-12(9(2)8-15-13)14(10)17(18)19/h5,7-8,15H,1,6H2,2-4H3
InChIKey
AMLCYZHBZIOVGO-UHFFFAOYSA-N
Compound name
N-(7-methoxy-3-methyl-4-nitro-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0889 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09618 174.4
[M+Na]+ 362.07812 182.6
[M-H]- 338.08162 178.7
[M+NH4]+ 357.12272 189.0
[M+K]+ 378.05206 174.9
[M+H-H2O]+ 322.08616 172.5
[M+HCOO]- 384.08710 193.0
[M+CH3COO]- 398.10275 205.1
[M+Na-2H]- 360.06357 179.7
[M]+ 339.08835 179.4
[M]- 339.08945 179.4
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.