CID 494327

Nsc606799

Structural Information

Molecular Formula
C13H14N4O4
SMILES
C1C(CN2C1C(=NC3=CC4=C(C=C3C2=O)OCO4)NN)O
InChI
InChI=1S/C13H14N4O4/c14-16-12-9-1-6(18)4-17(9)13(19)7-2-10-11(21-5-20-10)3-8(7)15-12/h2-3,6,9,18H,1,4-5,14H2,(H,15,16)
InChIKey
WIJUISNSHQGHAM-UHFFFAOYSA-N
Compound name
8-hydrazinyl-5-hydroxy-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),8,10,12(16)-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1015 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 162.5
[M+Na]+ 313.09072 170.7
[M-H]- 289.09422 168.3
[M+NH4]+ 308.13532 177.5
[M+K]+ 329.06466 171.8
[M+H-H2O]+ 273.09876 156.1
[M+HCOO]- 335.09970 178.4
[M+CH3COO]- 349.11535 173.4
[M+Na-2H]- 311.07617 166.3
[M]+ 290.10095 159.9
[M]- 290.10205 159.9
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.