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

14
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 152.3
[M+Na]+ 266.08999 157.9
[M-H]- 242.09349 158.9
[M+NH4]+ 261.13459 167.4
[M+K]+ 282.06393 151.7
[M+H-H2O]+ 226.09803 147.9
[M+HCOO]- 288.09897 178.3
[M+CH3COO]- 302.11462 192.6
[M+Na-2H]- 264.07544 161.0
[M]+ 243.10022 151.2
[M]- 243.10132 151.2
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