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]+ 329.16081 176.6
[M+Na]+ 351.14275 182.2
[M-H]- 327.14625 183.6
[M+NH4]+ 346.18735 188.5
[M+K]+ 367.11669 175.1
[M+H-H2O]+ 311.15079 171.7
[M+HCOO]- 373.15173 201.9
[M+CH3COO]- 387.16738 211.0
[M+Na-2H]- 349.12820 185.0
[M]+ 328.15298 177.4
[M]- 328.15408 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.