CID 6481704

4h,9h-furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazine-4,9-dione, 8-cyclohexyl-7,8-dihydro-

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1CCC(CC1)N2CC3=CC4=C5C(=C3OC2=O)C=CC=C5C(=O)O4
InChI
InChI=1S/C19H17NO4/c21-18-14-8-4-7-13-16(14)15(23-18)9-11-10-20(19(22)24-17(11)13)12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10H2
InChIKey
MKGNWIYJFAPRNV-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3,10-dioxa-5-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,9(16),12,14-pentaene-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 171.1
[M+Na]+ 346.104968 178.1
[M-H]- 322.108474 178.9
[M+NH4]+ 341.149573 185.8
[M+K]+ 362.078908 175.4
[M+H-H2O]+ 306.113010 162.6
[M+HCOO]- 368.113951 182.7
[M+CH3COO]- 382.129601 181.5
[M+Na-2H]- 344.090416 174.2
[M]+ 323.11520142 169.9
[M]- 323.11629858 169.9
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.