CID 28477215

N5-(3-methoxyphenyl)pyridine-2,5-diamine hydrochloride

Structural Information

Molecular Formula
C12H13N3O
SMILES
COC1=CC=CC(=C1)NC2=CN=C(C=C2)N
InChI
InChI=1S/C12H13N3O/c1-16-11-4-2-3-9(7-11)15-10-5-6-12(13)14-8-10/h2-8,15H,1H3,(H2,13,14)
InChIKey
ILMMFUXDVMDNCV-UHFFFAOYSA-N
Compound name
5-N-(3-methoxyphenyl)pyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 146.2
[M+Na]+ 238.095088 153.9
[M-H]- 214.098594 151.6
[M+NH4]+ 233.139693 162.7
[M+K]+ 254.069028 150.3
[M+H-H2O]+ 198.103130 137.9
[M+HCOO]- 260.104071 171.7
[M+CH3COO]- 274.119721 192.2
[M+Na-2H]- 236.080536 153.9
[M]+ 215.10532142 144.9
[M]- 215.10641858 144.9
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.