CID 67252404

Mhr6cq71x7

Structural Information

Molecular Formula
C18H16N4
SMILES
C1[C@@H](CC2=C1C3=C(N2CC4=CC=CC=N4)C=CC(=C3)C#N)N
InChI
InChI=1S/C18H16N4/c19-10-12-4-5-17-15(7-12)16-8-13(20)9-18(16)22(17)11-14-3-1-2-6-21-14/h1-7,13H,8-9,11,20H2/t13-/m0/s1
InChIKey
AAFKKZAJPJKSNG-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.13748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14476 172.1
[M+Na]+ 311.12670 185.5
[M+NH4]+ 306.17130 177.6
[M+K]+ 327.10064 177.1
[M-H]- 287.13020 169.1
[M+Na-2H]- 309.11215 175.7
[M]+ 288.13693 172.4
[M]- 288.13803 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.