CID 389281

Nsc685034

Structural Information

Molecular Formula
C22H21NO4
SMILES
CC1=CC2=C3C(=C(C(=C2O1)OC)N4CCCCC4)C(=O)C5=CC=CC=C5O3
InChI
InChI=1S/C22H21NO4/c1-13-12-15-20-17(19(24)14-8-4-5-9-16(14)27-20)18(22(25-2)21(15)26-13)23-10-6-3-7-11-23/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKey
ZVBXPTZCLHOWTR-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-piperidin-1-ylfuro[2,3-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 184.7
[M+Na]+ 386.13628 196.0
[M-H]- 362.13978 195.0
[M+NH4]+ 381.18088 198.3
[M+K]+ 402.11022 192.7
[M+H-H2O]+ 346.14432 175.6
[M+HCOO]- 408.14526 202.0
[M+CH3COO]- 422.16091 196.5
[M+Na-2H]- 384.12173 189.4
[M]+ 363.14651 190.7
[M]- 363.14761 190.7
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.