CID 71587989

1364322-41-7

Structural Information

Molecular Formula
C11H9N3O5
SMILES
CNC(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
InChI
InChI=1S/C11H9N3O5/c1-13-11(17)7(5-12)2-6-3-8(14(18)19)10(16)9(15)4-6/h2-4,15-16H,1H3,(H,13,17)/b7-2+
InChIKey
PJVWDBNDLNEXCN-FARCUNLSSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.05423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.061506 163.0
[M+Na]+ 286.043448 170.5
[M-H]- 262.046954 163.9
[M+NH4]+ 281.088053 175.3
[M+K]+ 302.017388 164.4
[M+H-H2O]+ 246.051490 154.4
[M+HCOO]- 308.052431 181.1
[M+CH3COO]- 322.068081 199.2
[M+Na-2H]- 284.028896 165.1
[M]+ 263.05368142 155.1
[M]- 263.05477858 155.1
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

patents stripe