CID 9797080

Ebalzotan

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCN([C@@H]1CC2=C(C=CC=C2OC1)C(=O)NC(C)C)C(C)C
InChI
InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
InChIKey
UEAKCKJAKUFIQP-OAHLLOKOSA-N
Compound name
(3R)-N-propan-2-yl-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

220
Patents

318.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 182.4
[M+Na]+ 341.219958 184.6
[M-H]- 317.223464 187.4
[M+NH4]+ 336.264563 196.4
[M+K]+ 357.193898 184.4
[M+H-H2O]+ 301.228000 174.4
[M+HCOO]- 363.228941 199.7
[M+CH3COO]- 377.244591 220.6
[M+Na-2H]- 339.205406 182.1
[M]+ 318.23019142 183.1
[M]- 318.23128858 183.1
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