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

911
Patents

287.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.4
[M+Na]+ 310.15262 178.5
[M+NH4]+ 305.19722 172.1
[M+K]+ 326.12656 172.0
[M-H]- 286.15612 162.0
[M+Na-2H]- 308.13807 170.2
[M]+ 287.16285 167.6
[M]- 287.16395 167.6
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

patents stripe