CID 60376

3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1h-indole hydrochloride

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1CC1CN2CCC(=CC2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O2/c21-20(22)14-3-4-17-15(9-14)16(10-18-17)13-5-7-19(8-6-13)11-12-1-2-12/h3-5,9-10,12,18H,1-2,6-8,11H2
InChIKey
JEXIVZGDPUKEFP-UHFFFAOYSA-N
Compound name
3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 164.0
[M+Na]+ 320.13696 171.7
[M-H]- 296.14046 170.9
[M+NH4]+ 315.18156 172.9
[M+K]+ 336.11090 160.9
[M+H-H2O]+ 280.14500 159.8
[M+HCOO]- 342.14594 183.8
[M+CH3COO]- 356.16159 198.0
[M+Na-2H]- 318.12241 169.4
[M]+ 297.14719 162.0
[M]- 297.14829 162.0
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