CID 68770

Talinolol

Structural Information

Molecular Formula
C20H33N3O3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
InChIKey
MXFWWQICDIZSOA-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

277
References

4309
Patents

363.2522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25948 188.3
[M+Na]+ 386.24142 187.1
[M-H]- 362.24492 191.5
[M+NH4]+ 381.28602 198.5
[M+K]+ 402.21536 184.8
[M+H-H2O]+ 346.24946 179.7
[M+HCOO]- 408.25040 205.2
[M+CH3COO]- 422.26605 220.8
[M+Na-2H]- 384.22687 189.3
[M]+ 363.25165 183.3
[M]- 363.25275 183.3
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