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 188.5
[M+Na]+ 388.15194 195.8
[M-H]- 364.15544 198.1
[M+NH4]+ 383.19654 200.9
[M+K]+ 404.12588 193.9
[M+H-H2O]+ 348.15998 178.9
[M+HCOO]- 410.16092 210.4
[M+CH3COO]- 424.17657 223.8
[M+Na-2H]- 386.13739 191.6
[M]+ 365.16217 195.2
[M]- 365.16327 195.2
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.