CID 3055592

72612-11-4

Structural Information

Molecular Formula
C19H19N3O4
SMILES
COC1=CC2=C(C=C1)NC=C2CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H19N3O4/c1-26-16-7-8-18-17(11-16)14(12-21-18)5-3-9-20-19(23)13-4-2-6-15(10-13)22(24)25/h2,4,6-8,10-12,21H,3,5,9H2,1H3,(H,20,23)
InChIKey
JHTQBDVXGUVPED-UHFFFAOYSA-N
Compound name
N-[3-(5-methoxy-1H-indol-3-yl)propyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 181.1
[M+Na]+ 376.12676 193.9
[M+NH4]+ 371.17136 187.3
[M+K]+ 392.10070 191.5
[M-H]- 352.13026 185.5
[M+Na-2H]- 374.11221 187.2
[M]+ 353.13699 183.8
[M]- 353.13809 183.8
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.