CID 3021029

2-chloro-5-methoxy-4-(2-pyridylamino)aniline

Structural Information

Molecular Formula
C12H12ClN3O
SMILES
COC1=C(C=C(C(=C1)N)Cl)NC2=CC=CC=N2
InChI
InChI=1S/C12H12ClN3O/c1-17-11-7-9(14)8(13)6-10(11)16-12-4-2-3-5-15-12/h2-7H,14H2,1H3,(H,15,16)
InChIKey
YTXHHNWAQVDITA-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-4-N-pyridin-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.074176 153.7
[M+Na]+ 272.056118 163.0
[M-H]- 248.059624 159.1
[M+NH4]+ 267.100723 169.9
[M+K]+ 288.030058 157.7
[M+H-H2O]+ 232.064160 146.2
[M+HCOO]- 294.065101 174.5
[M+CH3COO]- 308.080751 197.1
[M+Na-2H]- 270.041566 159.9
[M]+ 249.06635142 155.0
[M]- 249.06744858 155.0
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.