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]+ 333.180876 180.3
[M+Na]+ 355.162818 183.5
[M-H]- 331.166324 186.0
[M+NH4]+ 350.207423 192.8
[M+K]+ 371.136758 182.4
[M+H-H2O]+ 315.170860 172.7
[M+HCOO]- 377.171801 201.1
[M+CH3COO]- 391.187451 211.0
[M+Na-2H]- 353.148266 183.1
[M]+ 332.17305142 182.3
[M]- 332.17414858 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

patents stripe