CID 5272564

Benzamide, n-[2-oxo-2-[[(1s)-1-phenylethyl](phenylmethyl)amino]ethyl]-4-(4-thiazolyl)-

Structural Information

Molecular Formula
C27H25N3O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C4=CSC=N4
InChI
InChI=1S/C27H25N3O2S/c1-20(22-10-6-3-7-11-22)30(17-21-8-4-2-5-9-21)26(31)16-28-27(32)24-14-12-23(13-15-24)25-18-33-19-29-25/h2-15,18-20H,16-17H2,1H3,(H,28,32)/t20-/m0/s1
InChIKey
YDFTUIVCRWCTAA-FQEVSTJZSA-N
Compound name
N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.16675 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17403 210.8
[M+Na]+ 478.15597 213.2
[M-H]- 454.15947 222.6
[M+NH4]+ 473.20057 218.8
[M+K]+ 494.12991 207.9
[M+H-H2O]+ 438.16401 199.7
[M+HCOO]- 500.16495 228.1
[M+CH3COO]- 514.18060 218.3
[M+Na-2H]- 476.14142 209.1
[M]+ 455.16620 212.4
[M]- 455.16730 212.4
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.