CID 3033960

Iprocrolol

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OCC(CNC(C)C)O
InChI
InChI=1S/C18H21NO6/c1-9(2)19-7-11(20)8-24-18-16-12(4-5-23-16)15(22)14-13(21)6-10(3)25-17(14)18/h4-6,9,11,19-20,22H,7-8H2,1-3H3
InChIKey
KCPBQMACNLBNSA-UHFFFAOYSA-N
Compound name
4-hydroxy-9-[2-hydroxy-3-(propan-2-ylamino)propoxy]-7-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

347.1369 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.144176 180.3
[M+Na]+ 370.126118 189.0
[M-H]- 346.129624 185.5
[M+NH4]+ 365.170723 193.6
[M+K]+ 386.100058 188.3
[M+H-H2O]+ 330.134160 174.1
[M+HCOO]- 392.135101 198.7
[M+CH3COO]- 406.150751 214.0
[M+Na-2H]- 368.111566 183.7
[M]+ 347.13635142 188.6
[M]- 347.13744858 188.6
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