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 170.1
[M+Na]+ 298.13146 181.9
[M+NH4]+ 293.17606 176.7
[M+K]+ 314.10540 175.3
[M-H]- 274.13496 165.2
[M+Na-2H]- 296.11691 169.4
[M]+ 275.14169 169.6
[M]- 275.14279 169.6
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.