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]+ 276.149516 166.8
[M+Na]+ 298.131458 179.8
[M-H]- 274.134964 169.2
[M+NH4]+ 293.176063 186.7
[M+K]+ 314.105398 167.1
[M+H-H2O]+ 258.139500 153.7
[M+HCOO]- 320.140441 179.8
[M+CH3COO]- 334.156091 176.6
[M+Na-2H]- 296.116906 166.8
[M]+ 275.14169142 160.5
[M]- 275.14278858 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.