CID 51663

Benzamide, n-(3-(3-indolyl)propyl)-m-nitro-

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]+ 324.134256 172.7
[M+Na]+ 346.116198 178.0
[M-H]- 322.119704 177.9
[M+NH4]+ 341.160803 185.9
[M+K]+ 362.090138 168.5
[M+H-H2O]+ 306.124240 168.5
[M+HCOO]- 368.125181 196.2
[M+CH3COO]- 382.140831 201.1
[M+Na-2H]- 344.101646 179.4
[M]+ 323.12643142 171.4
[M]- 323.12752858 171.4
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.