CID 14345939

3,3a,4,6,7,12,12b,12c-octahydrocyclopent(1,2)indolizino(8,7-b)indole-2-carbonitrile

Structural Information

Molecular Formula
C18H17N3
SMILES
C1CN2CC3CC(=CC3C2C4=C1C5=CC=CC=C5N4)C#N
InChI
InChI=1S/C18H17N3/c19-9-11-7-12-10-21-6-5-14-13-3-1-2-4-16(13)20-17(14)18(21)15(12)8-11/h1-4,8,12,15,18,20H,5-7,10H2
InChIKey
FLJQHUQYKKKXFK-UHFFFAOYSA-N
Compound name
9,19-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),4,13,15,17-pentaene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14952 166.8
[M+Na]+ 298.13146 179.8
[M-H]- 274.13496 169.2
[M+NH4]+ 293.17606 186.7
[M+K]+ 314.10540 167.1
[M+H-H2O]+ 258.13950 153.7
[M+HCOO]- 320.14044 179.8
[M+CH3COO]- 334.15609 176.6
[M+Na-2H]- 296.11691 166.8
[M]+ 275.14169 160.5
[M]- 275.14279 160.5
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

No patent data available for this compound.