CID 170339

Ancarolol

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1NC(=O)C2=CC=CO2)O
InChI
InChI=1S/C18H24N2O4/c1-18(2,3)19-11-13(21)12-24-15-8-5-4-7-14(15)20-17(22)16-9-6-10-23-16/h4-10,13,19,21H,11-12H2,1-3H3,(H,20,22)
InChIKey
XBRNQRFNEAHCPR-UHFFFAOYSA-N
Compound name
N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

332.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.3
[M+Na]+ 355.16282 183.5
[M-H]- 331.16632 186.0
[M+NH4]+ 350.20742 192.8
[M+K]+ 371.13676 182.4
[M+H-H2O]+ 315.17086 172.7
[M+HCOO]- 377.17180 201.1
[M+CH3COO]- 391.18745 211.0
[M+Na-2H]- 353.14827 183.1
[M]+ 332.17305 182.3
[M]- 332.17415 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.