CID 6079757

Nsc74799

Structural Information

Molecular Formula
C12H10N4O5
SMILES
C/C(=N/NC(=O)N)/C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O
InChI
InChI=1S/C12H10N4O5/c1-6(14-15-12(13)18)9-5-7-4-8(16(19)20)2-3-10(7)21-11(9)17/h2-5H,1H3,(H3,13,15,18)/b14-6-
InChIKey
HMVLBEQLADKGIS-NSIKDUERSA-N
Compound name
[(Z)-1-(6-nitro-2-oxochromen-3-yl)ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06512 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07240 158.6
[M+Na]+ 313.05434 164.8
[M-H]- 289.05784 165.0
[M+NH4]+ 308.09894 172.1
[M+K]+ 329.02828 160.3
[M+H-H2O]+ 273.06238 155.0
[M+HCOO]- 335.06332 184.9
[M+CH3COO]- 349.07897 203.7
[M+Na-2H]- 311.03979 167.0
[M]+ 290.06457 158.1
[M]- 290.06567 158.1
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.