CID 9574235

Verazide

Structural Information

Molecular Formula
C15H15N3O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)OC
InChI
InChI=1S/C15H15N3O3/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKey
HPXIKMBHOXLFOR-LICLKQGHSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

217
Patents

285.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.118606 164.1
[M+Na]+ 308.100548 170.9
[M-H]- 284.104054 171.0
[M+NH4]+ 303.145153 178.3
[M+K]+ 324.074488 168.5
[M+H-H2O]+ 268.108590 154.5
[M+HCOO]- 330.109531 190.4
[M+CH3COO]- 344.125181 206.5
[M+Na-2H]- 306.085996 170.5
[M]+ 285.11078142 167.3
[M]- 285.11187858 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe