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]+ 340.096176 174.4
[M+Na]+ 362.078118 182.6
[M-H]- 338.081624 178.7
[M+NH4]+ 357.122723 189.0
[M+K]+ 378.052058 174.9
[M+H-H2O]+ 322.086160 172.5
[M+HCOO]- 384.087101 193.0
[M+CH3COO]- 398.102751 205.1
[M+Na-2H]- 360.063566 179.7
[M]+ 339.08835142 179.4
[M]- 339.08944858 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.