CID 13605831

107188-37-4

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC1=C(C(=C(C2=C1OC(CC2=O)(C)COC3=CC=C(C=C3)N)C)OC(=O)C)C
InChI
InChI=1S/C22H25NO5/c1-12-13(2)21-19(14(3)20(12)27-15(4)24)18(25)10-22(5,28-21)11-26-17-8-6-16(23)7-9-17/h6-9H,10-11,23H2,1-5H3
InChIKey
LHBDZFJPOIRNNI-UHFFFAOYSA-N
Compound name
[2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethyl-4-oxo-3H-chromen-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

383.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 191.8
[M+Na]+ 406.162498 200.6
[M-H]- 382.166004 200.2
[M+NH4]+ 401.207103 205.4
[M+K]+ 422.136438 198.8
[M+H-H2O]+ 366.170540 183.7
[M+HCOO]- 428.171481 209.8
[M+CH3COO]- 442.187131 226.6
[M+Na-2H]- 404.147946 192.4
[M]+ 383.17273142 196.8
[M]- 383.17382858 196.8
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

patents stripe