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]+ 324.12303 171.1
[M+Na]+ 346.10497 178.1
[M-H]- 322.10847 178.9
[M+NH4]+ 341.14957 185.8
[M+K]+ 362.07891 175.4
[M+H-H2O]+ 306.11301 162.6
[M+HCOO]- 368.11395 182.7
[M+CH3COO]- 382.12960 181.5
[M+Na-2H]- 344.09042 174.2
[M]+ 323.11520 169.9
[M]- 323.11630 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.