CID 118753373

Eom0g56h3z

Structural Information

Molecular Formula
C22H22N4O3
SMILES
C[C@H](CO)OC(=O)N[C@H]1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)CC4=CC=CC=N4
InChI
InChI=1S/C22H22N4O3/c1-14(13-27)29-22(28)25-17-9-19-18-8-15(11-23)5-6-20(18)26(21(19)10-17)12-16-4-2-3-7-24-16/h2-8,14,17,27H,9-10,12-13H2,1H3,(H,25,28)/t14-,17+/m1/s1
InChIKey
FBKLHMXRQOSWPP-PBHICJAKSA-N
Compound name
[(2R)-1-hydroxypropan-2-yl] N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.1692 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 195.8
[M+Na]+ 413.15842 206.2
[M+NH4]+ 408.20302 198.4
[M+K]+ 429.13236 199.9
[M-H]- 389.16192 190.5
[M+Na-2H]- 411.14387 196.5
[M]+ 390.16865 194.7
[M]- 390.16975 194.7
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.