CID 51663

Brn 0440278

Structural Information

Molecular Formula
C18H17N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H17N3O3/c22-18(13-5-3-7-15(11-13)21(23)24)19-10-4-6-14-12-20-17-9-2-1-8-16(14)17/h1-3,5,7-9,11-12,20H,4,6,10H2,(H,19,22)
InChIKey
FEYHCEGFFWNPBQ-UHFFFAOYSA-N
Compound name
N-[3-(1H-indol-3-yl)propyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12698 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 173.3
[M+Na]+ 346.11620 186.4
[M+NH4]+ 341.16080 180.3
[M+K]+ 362.09014 183.6
[M-H]- 322.11970 178.1
[M+Na-2H]- 344.10165 180.4
[M]+ 323.12643 176.2
[M]- 323.12753 176.2
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.