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 180.7
[M+Na]+ 376.12676 186.1
[M-H]- 352.13026 186.0
[M+NH4]+ 371.17136 192.9
[M+K]+ 392.10070 177.1
[M+H-H2O]+ 336.13480 176.3
[M+HCOO]- 398.13574 203.9
[M+CH3COO]- 412.15139 207.4
[M+Na-2H]- 374.11221 186.4
[M]+ 353.13699 181.5
[M]- 353.13809 181.5
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.