CID 57839

100427-74-5

Structural Information

Molecular Formula
C15H23N3O
SMILES
C1CC2CC1CC2NC(C(C3=CC=C(C=C3)N)O)N
InChI
InChI=1S/C15H23N3O/c16-12-5-3-10(4-6-12)14(19)15(17)18-13-8-9-1-2-11(13)7-9/h3-6,9,11,13-15,18-19H,1-2,7-8,16-17H2
InChIKey
ODBUBRKBHJIZHO-UHFFFAOYSA-N
Compound name
2-amino-1-(4-aminophenyl)-2-(2-bicyclo[2.2.1]heptanylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 161.0
[M+Na]+ 284.17332 166.1
[M+NH4]+ 279.21792 168.9
[M+K]+ 300.14726 165.5
[M-H]- 260.17682 163.8
[M+Na-2H]- 282.15877 162.4
[M]+ 261.18355 161.8
[M]- 261.18465 161.8
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.