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]+ 331.15535 183.3
[M+Na]+ 353.13729 194.6
[M-H]- 329.14079 187.4
[M+NH4]+ 348.18189 197.6
[M+K]+ 369.11123 184.9
[M+H-H2O]+ 313.14533 167.6
[M+HCOO]- 375.14627 200.3
[M+CH3COO]- 389.16192 192.2
[M+Na-2H]- 351.12274 183.8
[M]+ 330.14752 179.6
[M]- 330.14862 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.