CID 189906

Butocrolol hydrochloride

Structural Information

Molecular Formula
C19H23NO6
SMILES
CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H23NO6/c1-10-7-13(22)14-15(23)12-5-6-24-16(12)18(17(14)26-10)25-9-11(21)8-20-19(2,3)4/h5-7,11,20-21,23H,8-9H2,1-4H3
InChIKey
RRTGJSZJWLUVRE-UHFFFAOYSA-N
Compound name
9-[3-(tert-butylamino)-2-hydroxypropoxy]-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

361.15253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15981 184.9
[M+Na]+ 384.14175 194.0
[M-H]- 360.14525 190.3
[M+NH4]+ 379.18635 197.9
[M+K]+ 400.11569 193.2
[M+H-H2O]+ 344.14979 179.3
[M+HCOO]- 406.15073 202.5
[M+CH3COO]- 420.16638 215.9
[M+Na-2H]- 382.12720 190.3
[M]+ 361.15198 193.7
[M]- 361.15308 193.7
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