CID 53698

Cetamolol

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1OCC(=O)NC)O
InChI
InChI=1S/C16H26N2O4/c1-16(2,3)18-9-12(19)10-21-13-7-5-6-8-14(13)22-11-15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20)
InChIKey
UWCBNAVPISMFJZ-UHFFFAOYSA-N
Compound name
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

4291
Patents

310.18927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 175.1
[M+Na]+ 333.17849 182.0
[M+NH4]+ 328.22309 179.7
[M+K]+ 349.15243 178.6
[M-H]- 309.18199 174.8
[M+Na-2H]- 331.16394 177.8
[M]+ 310.18872 175.5
[M]- 310.18982 175.5
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