CID 3071762

4h-1-benzopyran-4-one, 8-((dimethylamino)methyl)-7-methoxy-3-methyl-2-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C21H23NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)CC3=CC=CC=C3
InChI
InChI=1S/C21H23NO3/c1-14-19(12-15-8-6-5-7-9-15)25-21-16(20(14)23)10-11-18(24-4)17(21)13-22(2)3/h5-11H,12-13H2,1-4H3
InChIKey
MRJYONRQGCLFHW-UHFFFAOYSA-N
Compound name
2-benzyl-8-[(dimethylamino)methyl]-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.8
[M+Na]+ 360.15702 190.7
[M-H]- 336.16052 192.0
[M+NH4]+ 355.20162 196.0
[M+K]+ 376.13096 188.4
[M+H-H2O]+ 320.16506 172.6
[M+HCOO]- 382.16600 204.7
[M+CH3COO]- 396.18165 220.4
[M+Na-2H]- 358.14247 185.8
[M]+ 337.16725 188.6
[M]- 337.16835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.