CID 159599

Amotosalen

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)COCCN)C
InChI
InChI=1S/C17H19NO4/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18/h6-7H,4-5,8,18H2,1-3H3
InChIKey
FERWCFYKULABCE-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

211
References

886
Patents

301.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.8
[M+Na]+ 324.12062 182.2
[M-H]- 300.12412 177.9
[M+NH4]+ 319.16522 187.0
[M+K]+ 340.09456 180.2
[M+H-H2O]+ 284.12866 163.8
[M+HCOO]- 346.12960 192.8
[M+CH3COO]- 360.14525 209.7
[M+Na-2H]- 322.10607 174.9
[M]+ 301.13085 179.3
[M]- 301.13195 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe