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

2
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 171.4
[M+Na]+ 311.12670 183.8
[M-H]- 287.13020 175.3
[M+NH4]+ 306.17130 187.3
[M+K]+ 327.10064 173.7
[M+H-H2O]+ 271.13474 156.1
[M+HCOO]- 333.13568 189.2
[M+CH3COO]- 347.15133 181.3
[M+Na-2H]- 309.11215 173.1
[M]+ 288.13693 166.4
[M]- 288.13803 166.4
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.