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]+ 314.161146 171.3
[M+Na]+ 336.143088 175.3
[M-H]- 312.146594 179.0
[M+NH4]+ 331.187693 183.7
[M+K]+ 352.117028 168.7
[M+H-H2O]+ 296.151130 165.3
[M+HCOO]- 358.152071 199.8
[M+CH3COO]- 372.167721 213.4
[M+Na-2H]- 334.128536 179.4
[M]+ 313.15332142 171.1
[M]- 313.15441858 171.1
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

No patent data available for this compound.