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

1
Patents

263.05423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06151 163.0
[M+Na]+ 286.04345 170.5
[M-H]- 262.04695 163.9
[M+NH4]+ 281.08805 175.3
[M+K]+ 302.01739 164.4
[M+H-H2O]+ 246.05149 154.4
[M+HCOO]- 308.05243 181.1
[M+CH3COO]- 322.06808 199.2
[M+Na-2H]- 284.02890 165.1
[M]+ 263.05368 155.1
[M]- 263.05478 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