CID 155346

Cyanopindolol

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O
InChI
InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
InChIKey
QXIUMMLTJVHILT-UHFFFAOYSA-N
Compound name
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

291
References

1026
Patents

287.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 174.8
[M+Na]+ 310.152618 183.4
[M-H]- 286.156124 174.7
[M+NH4]+ 305.197223 188.7
[M+K]+ 326.126558 178.0
[M+H-H2O]+ 270.160660 161.4
[M+HCOO]- 332.161601 190.0
[M+CH3COO]- 346.177251 210.5
[M+Na-2H]- 308.138066 177.6
[M]+ 287.16285142 170.8
[M]- 287.16394858 170.8
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