CID 3048956

64179-31-3

Structural Information

Molecular Formula
C18H17NO6
SMILES
COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC4=C(C=C3)OCCO4)OC
InChI
InChI=1S/C18H17NO6/c1-21-13-6-4-11-15(16(13)22-2)18(20)25-17(11)19-10-3-5-12-14(9-10)24-8-7-23-12/h3-6,9,17,19H,7-8H2,1-2H3
InChIKey
QWFUQWSZABBLIU-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.1056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.112876 175.9
[M+Na]+ 366.094818 184.0
[M-H]- 342.098324 186.6
[M+NH4]+ 361.139423 188.7
[M+K]+ 382.068758 184.6
[M+H-H2O]+ 326.102860 168.7
[M+HCOO]- 388.103801 194.1
[M+CH3COO]- 402.119451 187.8
[M+Na-2H]- 364.080266 181.4
[M]+ 343.10505142 181.4
[M]- 343.10614858 181.4
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