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]+ 216.11315 146.2
[M+Na]+ 238.09509 153.9
[M-H]- 214.09859 151.6
[M+NH4]+ 233.13969 162.7
[M+K]+ 254.06903 150.3
[M+H-H2O]+ 198.10313 137.9
[M+HCOO]- 260.10407 171.7
[M+CH3COO]- 274.11972 192.2
[M+Na-2H]- 236.08054 153.9
[M]+ 215.10532 144.9
[M]- 215.10642 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.