CID 3056435

73771-76-3

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C)C)C
InChI
InChI=1S/C16H19NO4/c1-10-11(2)21-15-12(14(10)18)6-5-7-13(15)16(19)20-9-8-17(3)4/h5-7H,8-9H2,1-4H3
InChIKey
KUGKXBNBHFNYTO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2,3-dimethyl-4-oxochromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.2
[M+Na]+ 312.12062 174.1
[M-H]- 288.12412 172.4
[M+NH4]+ 307.16522 181.6
[M+K]+ 328.09456 173.9
[M+H-H2O]+ 272.12866 157.9
[M+HCOO]- 334.12960 188.0
[M+CH3COO]- 348.14525 210.0
[M+Na-2H]- 310.10607 169.4
[M]+ 289.13085 172.7
[M]- 289.13195 172.7
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.