CID 29124

18527-73-6

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC=C(C=C1)C(CNC2=C(C=NC=C2)N)O
InChI
InChI=1S/C13H15N3O/c14-11-8-15-7-6-12(11)16-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9,14H2,(H,15,16)
InChIKey
BTBAJOKMSMQTKI-UHFFFAOYSA-N
Compound name
2-[(3-amino-4-pyridinyl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 150.8
[M+Na]+ 252.110718 156.4
[M-H]- 228.114224 154.3
[M+NH4]+ 247.155323 165.6
[M+K]+ 268.084658 152.2
[M+H-H2O]+ 212.118760 142.5
[M+HCOO]- 274.119701 173.4
[M+CH3COO]- 288.135351 192.5
[M+Na-2H]- 250.096166 157.1
[M]+ 229.12095142 147.0
[M]- 229.12204858 147.0
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.