CID 71503373

Schembl27002304

Structural Information

Molecular Formula
C28H29N3O6
SMILES
COC1=C(C=C(C=C1)C2=C(ON=C2)C3=CC(=C(C(=C3)OC)OC)OC)NC(=O)[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C28H29N3O6/c1-33-23-11-10-18(13-22(23)31-28(32)21(29)12-17-8-6-5-7-9-17)20-16-30-37-26(20)19-14-24(34-2)27(36-4)25(15-19)35-3/h5-11,13-16,21H,12,29H2,1-4H3,(H,31,32)/t21-/m0/s1
InChIKey
LHNWLQKEKCACGW-NRFANRHFSA-N
Compound name
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

503.20563 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.21291 223.4
[M+Na]+ 526.19485 228.0
[M-H]- 502.19835 235.7
[M+NH4]+ 521.23945 227.5
[M+K]+ 542.16879 226.2
[M+H-H2O]+ 486.20289 211.4
[M+HCOO]- 548.20383 244.3
[M+CH3COO]- 562.21948 248.2
[M+Na-2H]- 524.18030 220.8
[M]+ 503.20508 230.1
[M]- 503.20618 230.1
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.