CID 60376

109793-76-2

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]+ 298.155016 164.0
[M+Na]+ 320.136958 171.7
[M-H]- 296.140464 170.9
[M+NH4]+ 315.181563 172.9
[M+K]+ 336.110898 160.9
[M+H-H2O]+ 280.145000 159.8
[M+HCOO]- 342.145941 183.8
[M+CH3COO]- 356.161591 198.0
[M+Na-2H]- 318.122406 169.4
[M]+ 297.14719142 162.0
[M]- 297.14828858 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