CID 5361807

7-hydroxy-2-methyl-8-(morpholinomethyl)isoflavone hydrochloride

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H21NO4/c1-14-19(15-5-3-2-4-6-15)20(24)16-7-8-18(23)17(21(16)26-14)13-22-9-11-25-12-10-22/h2-8,23H,9-13H2,1H3
InChIKey
CLSISILCABZETM-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

351.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.6
[M+Na]+ 374.136278 192.1
[M-H]- 350.139784 193.7
[M+NH4]+ 369.180883 193.5
[M+K]+ 390.110218 189.0
[M+H-H2O]+ 334.144320 174.1
[M+HCOO]- 396.145261 199.3
[M+CH3COO]- 410.160911 194.4
[M+Na-2H]- 372.121726 188.3
[M]+ 351.14651142 184.6
[M]- 351.14760858 184.6
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

No patent data available for this compound.