CID 118753415

5f74m3j1lp

Structural Information

Molecular Formula
C20H18N4O
SMILES
CC(=O)N[C@H]1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)CC4=CC=CC=N4
InChI
InChI=1S/C20H18N4O/c1-13(25)23-16-9-18-17-8-14(11-21)5-6-19(17)24(20(18)10-16)12-15-4-2-3-7-22-15/h2-8,16H,9-10,12H2,1H3,(H,23,25)/t16-/m0/s1
InChIKey
SANZLQIVCSISNF-INIZCTEOSA-N
Compound name
N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.14807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 183.3
[M+Na]+ 353.137288 194.6
[M-H]- 329.140794 187.4
[M+NH4]+ 348.181893 197.6
[M+K]+ 369.111228 184.9
[M+H-H2O]+ 313.145330 167.6
[M+HCOO]- 375.146271 200.3
[M+CH3COO]- 389.161921 192.2
[M+Na-2H]- 351.122736 183.8
[M]+ 330.14752142 179.6
[M]- 330.14861858 179.6
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.