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

69
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 194.8
[M+Na]+ 397.16352 204.6
[M-H]- 373.16702 198.7
[M+NH4]+ 392.20812 207.4
[M+K]+ 413.13746 195.9
[M+H-H2O]+ 357.17156 178.9
[M+HCOO]- 419.17250 210.4
[M+CH3COO]- 433.18815 202.6
[M+Na-2H]- 395.14897 193.5
[M]+ 374.17375 192.2
[M]- 374.17485 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.