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 159.2
[M+Na]+ 284.17332 161.8
[M-H]- 260.17682 162.6
[M+NH4]+ 279.21792 178.6
[M+K]+ 300.14726 158.4
[M+H-H2O]+ 244.18136 153.1
[M+HCOO]- 306.18230 178.6
[M+CH3COO]- 320.19795 202.6
[M+Na-2H]- 282.15877 158.6
[M]+ 261.18355 152.0
[M]- 261.18465 152.0
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.