CID 18977

3468-07-3

Structural Information

Molecular Formula
C22H23NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO4/c1-15-19(24)17-11-7-12-18(22(25)26-14-8-13-23(2)3)21(17)27-20(15)16-9-5-4-6-10-16/h4-7,9-12H,8,13-14H2,1-3H3
InChIKey
AABVTPXPBATFJS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.7
[M+Na]+ 388.15194 201.6
[M+NH4]+ 383.19654 193.9
[M+K]+ 404.12588 194.1
[M-H]- 364.15544 193.2
[M+Na-2H]- 386.13739 193.9
[M]+ 365.16217 190.8
[M]- 365.16327 190.8
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.