CID 12814789

Chembl157981

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC(CCC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
InChI
InChI=1S/C19H24N2O4/c1-12(2-3-13-4-7-15(22)8-5-13)21-11-18(24)14-6-9-17(23)16(10-14)19(20)25/h4-10,12,18,21-24H,2-3,11H2,1H3,(H2,20,25)
InChIKey
OWDODYNOSWQAGH-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

344.1736 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 182.8
[M+Na]+ 367.16282 185.8
[M-H]- 343.16632 184.7
[M+NH4]+ 362.20742 192.7
[M+K]+ 383.13676 181.9
[M+H-H2O]+ 327.17086 174.6
[M+HCOO]- 389.17180 200.3
[M+CH3COO]- 403.18745 213.8
[M+Na-2H]- 365.14827 180.9
[M]+ 344.17305 180.0
[M]- 344.17415 180.0
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