CID 9588843

145234-93-1

Structural Information

Molecular Formula
C15H17N4O2
SMILES
CC1=[N+](C=C(C=C1)[N+](=O)[O-])/N=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C15H17N4O2/c1-12-4-7-15(19(20)21)11-18(12)16-10-13-5-8-14(9-6-13)17(2)3/h4-11H,1-3H3/q+1/b16-10+
InChIKey
ZAGXHNPQWIMJOX-MHWRWJLKSA-N
Compound name
N,N-dimethyl-4-[(E)-(2-methyl-5-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]+ 286.14244 166.8
[M+Na]+ 308.12438 172.8
[M-H]- 284.12788 175.2
[M+NH4]+ 303.16898 180.5
[M+K]+ 324.09832 160.9
[M+H-H2O]+ 268.13242 164.4
[M+HCOO]- 330.13336 193.8
[M+CH3COO]- 344.14901 200.2
[M+Na-2H]- 306.10983 176.0
[M]+ 285.13461 165.9
[M]- 285.13571 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.