CID 43150

Pamatolol

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCNC(=O)OC)O
InChI
InChI=1S/C16H26N2O4/c1-12(2)18-10-14(19)11-22-15-6-4-13(5-7-15)8-9-17-16(20)21-3/h4-7,12,14,18-19H,8-11H2,1-3H3,(H,17,20)
InChIKey
UGENBJKPPGFFAT-UHFFFAOYSA-N
Compound name
methyl N-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1188
Patents

310.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.196546 176.3
[M+Na]+ 333.178488 178.6
[M-H]- 309.181994 177.5
[M+NH4]+ 328.223093 189.4
[M+K]+ 349.152428 177.5
[M+H-H2O]+ 293.186530 168.3
[M+HCOO]- 355.187471 197.1
[M+CH3COO]- 369.203121 209.7
[M+Na-2H]- 331.163936 176.5
[M]+ 310.18872142 178.6
[M]- 310.18981858 178.6
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