CID 10856525

78750-68-2

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1=CC(=C(N=C1)NC2=CC=C(C=C2)O)N
InChI
InChI=1S/C11H11N3O/c12-10-2-1-7-13-11(10)14-8-3-5-9(15)6-4-8/h1-7,15H,12H2,(H,13,14)
InChIKey
VDKIMNUBAYDJEU-UHFFFAOYSA-N
Compound name
4-[(3-amino-2-pyridinyl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

201.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 141.9
[M+Na]+ 224.079428 149.6
[M-H]- 200.082934 146.0
[M+NH4]+ 219.124033 158.2
[M+K]+ 240.053368 145.3
[M+H-H2O]+ 184.087470 134.1
[M+HCOO]- 246.088411 166.2
[M+CH3COO]- 260.104061 186.7
[M+Na-2H]- 222.064876 149.6
[M]+ 201.08966142 138.4
[M]- 201.09075858 138.4
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