CID 39802

50823-52-4

Structural Information

Molecular Formula
C15H21NO5
SMILES
COC1=C(C(=C2CC(CCCC2=C1)NC(=O)OC)O)OC
InChI
InChI=1S/C15H21NO5/c1-19-12-7-9-5-4-6-10(16-15(18)21-3)8-11(9)13(17)14(12)20-2/h7,10,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKey
PWFIXEFPEFAERD-UHFFFAOYSA-N
Compound name
methyl N-(4-hydroxy-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 162.5
[M+Na]+ 318.131188 167.1
[M-H]- 294.134694 166.9
[M+NH4]+ 313.175793 177.5
[M+K]+ 334.105128 171.1
[M+H-H2O]+ 278.139230 157.1
[M+HCOO]- 340.140171 181.2
[M+CH3COO]- 354.155821 204.4
[M+Na-2H]- 316.116636 165.0
[M]+ 295.14142142 162.1
[M]- 295.14251858 162.1
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.