CID 9588833

145234-83-9

Structural Information

Molecular Formula
C15H17N4O2
SMILES
CC1=C(C=CC=[N+]1/N=C/C2=CC=C(C=C2)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C15H17N4O2/c1-12-15(19(20)21)5-4-10-18(12)16-11-13-6-8-14(9-7-13)17(2)3/h4-11H,1-3H3/q+1/b16-11+
InChIKey
NNUFEZNZCNITSH-LFIBNONCSA-N
Compound name
N,N-dimethyl-4-[(E)-(2-methyl-3-nitropyridin-1-ium-1-yl)iminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13516 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.142436 166.8
[M+Na]+ 308.124378 172.8
[M-H]- 284.127884 175.2
[M+NH4]+ 303.168983 180.5
[M+K]+ 324.098318 160.9
[M+H-H2O]+ 268.132420 164.4
[M+HCOO]- 330.133361 193.8
[M+CH3COO]- 344.149011 200.2
[M+Na-2H]- 306.109826 176.0
[M]+ 285.13461142 165.9
[M]- 285.13570858 165.9
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.