CID 71750278

F21hdn95q3

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CC1=C(C=CC(=C1)CC(C)NCC(C2=CC(=C(C=C2)O)NC=O)O)OC
InChI
InChI=1S/C20H26N2O4/c1-13-8-15(4-7-20(13)26-3)9-14(2)21-11-19(25)16-5-6-18(24)17(10-16)22-12-23/h4-8,10,12,14,19,21,24-25H,9,11H2,1-3H3,(H,22,23)
InChIKey
KMTQWBVDHUNFES-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxy-3-methylphenyl)propan-2-ylamino]ethyl]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 186.7
[M+Na]+ 381.17849 190.9
[M-H]- 357.18199 190.6
[M+NH4]+ 376.22309 197.4
[M+K]+ 397.15243 187.3
[M+H-H2O]+ 341.18653 178.1
[M+HCOO]- 403.18747 206.9
[M+CH3COO]- 417.20312 219.6
[M+Na-2H]- 379.16394 186.3
[M]+ 358.18872 188.1
[M]- 358.18982 188.1
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.