CID 377597

Nsc659171

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1CC2C=CC1C34C2(C(=O)NC3=O)C(=O)NC4=O
InChI
InChI=1S/C12H10N2O4/c15-7-11-5-1-2-6(4-3-5)12(11,9(17)13-7)10(18)14-8(11)16/h1-2,5-6H,3-4H2,(H,13,15,17)(H,14,16,18)
InChIKey
PXLZWEXXRPTWHY-UHFFFAOYSA-N
Compound name
8,11-diazatetracyclo[4.3.3.22,5.01,6]tetradec-3-ene-7,9,10,12-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 147.9
[M+Na]+ 269.05328 156.2
[M-H]- 245.05678 145.7
[M+NH4]+ 264.09788 173.3
[M+K]+ 285.02722 150.8
[M+H-H2O]+ 229.06132 142.6
[M+HCOO]- 291.06226 156.4
[M+CH3COO]- 305.07791 158.4
[M+Na-2H]- 267.03873 154.1
[M]+ 246.06351 147.1
[M]- 246.06461 147.1
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.