CID 3066256

1h-indole, 5-nitro-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O2/c1-2-7-18-8-5-12(6-9-18)15-11-17-16-4-3-13(19(20)21)10-14(15)16/h3-5,10-11,17H,2,6-9H2,1H3
InChIKey
IECZTFVRSQPBKV-UHFFFAOYSA-N
Compound name
5-nitro-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

285.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 165.6
[M+Na]+ 308.13696 172.0
[M-H]- 284.14046 169.3
[M+NH4]+ 303.18156 179.9
[M+K]+ 324.11090 162.5
[M+H-H2O]+ 268.14500 161.4
[M+HCOO]- 330.14594 185.3
[M+CH3COO]- 344.16159 193.6
[M+Na-2H]- 306.12241 171.1
[M]+ 285.14719 162.5
[M]- 285.14829 162.5
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

patents stripe