CID 353638

Nsc602611

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4(CCC3C=C4)OC)C
InChI
InChI=1S/C17H16N2O3/c1-8-9(2)19-14-13(18-8)15(20)11-10-4-6-17(22-3,7-5-10)12(11)16(14)21/h4,6,10H,5,7H2,1-3H3
InChIKey
UEPPVFKPRCUJCW-UHFFFAOYSA-N
Compound name
1-methoxy-6,7-dimethyl-5,8-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.3
[M+Na]+ 319.10532 176.0
[M-H]- 295.10882 165.9
[M+NH4]+ 314.14992 187.6
[M+K]+ 335.07926 171.6
[M+H-H2O]+ 279.11336 157.8
[M+HCOO]- 341.11430 176.0
[M+CH3COO]- 355.12995 176.9
[M+Na-2H]- 317.09077 177.1
[M]+ 296.11555 172.7
[M]- 296.11665 172.7
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.