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]+ 297.123376 167.3
[M+Na]+ 319.105318 176.0
[M-H]- 295.108824 165.9
[M+NH4]+ 314.149923 187.6
[M+K]+ 335.079258 171.6
[M+H-H2O]+ 279.113360 157.8
[M+HCOO]- 341.114301 176.0
[M+CH3COO]- 355.129951 176.9
[M+Na-2H]- 317.090766 177.1
[M]+ 296.11555142 172.7
[M]- 296.11664858 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.