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 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

literature stripe

Patent stripe

patents stripe