CID 337028

72334-29-3

Structural Information

Molecular Formula
C20H22N2O5
SMILES
COC1=C(C2=C(C=C1)C3=NC4=CC(=C(C=C4NCC3CO2)OC)OC)OC
InChI
InChI=1S/C20H22N2O5/c1-23-15-6-5-12-18-11(10-27-19(12)20(15)26-4)9-21-13-7-16(24-2)17(25-3)8-14(13)22-18/h5-8,11,21H,9-10H2,1-4H3
InChIKey
FKEQUFRFATVYEY-UHFFFAOYSA-N
Compound name
3,4,10,11-tetramethoxy-6,6a,7,8-tetrahydrochromeno[3,4-c][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 186.1
[M+Na]+ 393.14208 194.4
[M-H]- 369.14558 190.7
[M+NH4]+ 388.18668 196.7
[M+K]+ 409.11602 195.9
[M+H-H2O]+ 353.15012 177.6
[M+HCOO]- 415.15106 198.9
[M+CH3COO]- 429.16671 195.4
[M+Na-2H]- 391.12753 191.3
[M]+ 370.15231 189.1
[M]- 370.15341 189.1
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.