CID 6433087

Ac-30177

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CC(C)(C1=CC=C(C=C1)OC)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O
InChI
InChI=1S/C21H24N2O4/c1-21(2,13-4-6-14(27-3)7-5-13)22-12-18(25)15-8-10-17(24)20-16(15)9-11-19(26)23-20/h4-11,18,22,24-25H,12H2,1-3H3,(H,23,26)
InChIKey
DPCVZFSENRMFKS-UHFFFAOYSA-N
Compound name
8-hydroxy-5-[1-hydroxy-2-[2-(4-methoxyphenyl)propan-2-ylamino]ethyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 188.1
[M+Na]+ 391.162818 194.0
[M-H]- 367.166324 190.5
[M+NH4]+ 386.207423 197.6
[M+K]+ 407.136758 188.7
[M+H-H2O]+ 351.170860 179.6
[M+HCOO]- 413.171801 203.1
[M+CH3COO]- 427.187451 215.3
[M+Na-2H]- 389.148266 192.0
[M]+ 368.17305142 188.1
[M]- 368.17414858 188.1
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

No patent data available for this compound.