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]+ 247.071336 147.9
[M+Na]+ 269.053278 156.2
[M-H]- 245.056784 145.7
[M+NH4]+ 264.097883 173.3
[M+K]+ 285.027218 150.8
[M+H-H2O]+ 229.061320 142.6
[M+HCOO]- 291.062261 156.4
[M+CH3COO]- 305.077911 158.4
[M+Na-2H]- 267.038726 154.1
[M]+ 246.06351142 147.1
[M]- 246.06460858 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.