CID 3821838

N-benzyl-n-methyl-5-nitropyridin-2-amine

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CN(CC1=CC=CC=C1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H13N3O2/c1-15(10-11-5-3-2-4-6-11)13-8-7-12(9-14-13)16(17)18/h2-9H,10H2,1H3
InChIKey
UDCCELHBERLWLW-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 151.9
[M+Na]+ 266.08999 166.6
[M+NH4]+ 261.13459 160.4
[M+K]+ 282.06393 162.0
[M-H]- 242.09349 158.3
[M+Na-2H]- 264.07544 162.0
[M]+ 243.10022 155.8
[M]- 243.10132 155.8
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

patents stripe