CID 3058815

75616-54-5

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)NC(=O)CN(C)C
InChI
InChI=1S/C17H18N2O4/c1-9-7-14(21)23-17-11(9)5-6-12-15(17)16(10(2)22-12)18-13(20)8-19(3)4/h5-7H,8H2,1-4H3,(H,18,20)
InChIKey
BBSCJDZERJUATN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 173.6
[M+Na]+ 337.11587 184.2
[M-H]- 313.11937 183.1
[M+NH4]+ 332.16047 190.2
[M+K]+ 353.08981 183.9
[M+H-H2O]+ 297.12391 166.9
[M+HCOO]- 359.12485 197.8
[M+CH3COO]- 373.14050 217.1
[M+Na-2H]- 335.10132 178.8
[M]+ 314.12610 182.6
[M]- 314.12720 182.6
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.