CID 24963749

1029692-15-6

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC(C)OC(=O)N[C@H]1CC2=C(C1)N(C3=C2C=C(C=C3)C#N)CC4=CC=CC=N4
InChI
InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKey
IHIWYQYVBNODSV-KRWDZBQOSA-N
Compound name
propan-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
3
Annotation Hits

3
References

58
Patents

374.1743 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 192.7
[M+Na]+ 397.16352 204.1
[M+NH4]+ 392.20812 196.2
[M+K]+ 413.13746 197.0
[M-H]- 373.16702 188.3
[M+Na-2H]- 395.14897 194.3
[M]+ 374.17375 192.1
[M]- 374.17485 192.1
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