CID 201176

3380-78-7

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H14ClN3O2/c18-13-6-5-10(9-15(13)21(22)23)16-17-12(7-8-19-16)11-3-1-2-4-14(11)20-17/h1-6,9,16,19-20H,7-8H2
InChIKey
IMYRAKNYVMMXFX-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 171.9
[M+Na]+ 350.06667 179.6
[M-H]- 326.07017 175.1
[M+NH4]+ 345.11127 185.4
[M+K]+ 366.04061 167.4
[M+H-H2O]+ 310.07471 168.3
[M+HCOO]- 372.07565 184.6
[M+CH3COO]- 386.09130 196.9
[M+Na-2H]- 348.05212 178.0
[M]+ 327.07690 168.8
[M]- 327.07800 168.8
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.