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

0
Patents

343.1056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11288 175.9
[M+Na]+ 366.09482 184.0
[M-H]- 342.09832 186.6
[M+NH4]+ 361.13942 188.7
[M+K]+ 382.06876 184.6
[M+H-H2O]+ 326.10286 168.7
[M+HCOO]- 388.10380 194.1
[M+CH3COO]- 402.11945 187.8
[M+Na-2H]- 364.08027 181.4
[M]+ 343.10505 181.4
[M]- 343.10615 181.5
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