CID 3038702

Brn 1002398

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CN1CCC2=CC(=C3C4=C2C1CCC4=NO3)OC
InChI
InChI=1S/C14H16N2O2/c1-16-6-5-8-7-11(17-2)14-13-9(15-18-14)3-4-10(16)12(8)13/h7,10H,3-6H2,1-2H3
InChIKey
DACRENDINSPQAR-UHFFFAOYSA-N
Compound name
10-methoxy-5-methyl-12-oxa-5,13-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8,10,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 153.0
[M+Na]+ 267.11041 167.6
[M+NH4]+ 262.15501 162.9
[M+K]+ 283.08435 162.1
[M-H]- 243.11391 156.2
[M+Na-2H]- 265.09586 155.7
[M]+ 244.12064 156.1
[M]- 244.12174 156.1
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.