CID 5968588

6951-59-3

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H20N4O3/c1-17(2,3)13-5-7-15(24-4)12(9-13)10-19-20-16-8-6-14(11-18-16)21(22)23/h5-11H,1-4H3,(H,18,20)/b19-10-
InChIKey
NVKIINPPQBADQK-GRSHGNNSSA-N
Compound name
N-[(Z)-(5-tert-butyl-2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15353 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 176.6
[M+Na]+ 351.142748 182.2
[M-H]- 327.146254 183.6
[M+NH4]+ 346.187353 188.5
[M+K]+ 367.116688 175.1
[M+H-H2O]+ 311.150790 171.7
[M+HCOO]- 373.151731 201.9
[M+CH3COO]- 387.167381 211.0
[M+Na-2H]- 349.128196 185.0
[M]+ 328.15298142 177.4
[M]- 328.15407858 177.4
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.