CID 10583675

4-n-phenylpyridine-3,4-diamine

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC=C(C=C1)NC2=C(C=NC=C2)N
InChI
InChI=1S/C11H11N3/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,12H2,(H,13,14)
InChIKey
FVUVDAATDDOHKA-UHFFFAOYSA-N
Compound name
4-N-phenylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

185.09529 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 137.9
[M+Na]+ 208.08451 145.2
[M-H]- 184.08801 143.1
[M+NH4]+ 203.12911 155.4
[M+K]+ 224.05845 141.2
[M+H-H2O]+ 168.09255 129.9
[M+HCOO]- 230.09349 163.5
[M+CH3COO]- 244.10914 150.9
[M+Na-2H]- 206.06996 147.0
[M]+ 185.09474 134.5
[M]- 185.09584 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe