CID 6310824

28058-42-6

Structural Information

Molecular Formula
C16H19N5O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H19N5O2/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-19-16-10-9-15(12-17-16)21(22)23/h5-12H,3-4H2,1-2H3,(H,17,19)/b18-11-
InChIKey
LCYPBPWKIODAKD-WQRHYEAKSA-N
Compound name
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15387 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16115 172.0
[M+Na]+ 336.14309 184.4
[M+NH4]+ 331.18769 178.9
[M+K]+ 352.11703 179.7
[M-H]- 312.14659 178.9
[M+Na-2H]- 334.12854 180.8
[M]+ 313.15332 175.4
[M]- 313.15442 175.4
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.