CID 504978

3-(5-ethyl-4,5-dihydro-oxazol-2-yl)-n-naphthalen-2-ylmethyl-n-(3-nitro-phenyl)-3-oxo-propionamide

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CCC1CN=C(O1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H23N3O5/c1-2-22-15-26-25(33-22)23(29)14-24(30)27(20-8-5-9-21(13-20)28(31)32)16-17-10-11-18-6-3-4-7-19(18)12-17/h3-13,22H,2,14-16H2,1H3
InChIKey
ZVUHOZBFDRZBSO-UHFFFAOYSA-N
Compound name
3-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-(naphthalen-2-ylmethyl)-N-(3-nitrophenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16376 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 207.2
[M+Na]+ 468.15298 209.0
[M-H]- 444.15648 217.5
[M+NH4]+ 463.19758 214.1
[M+K]+ 484.12692 202.6
[M+H-H2O]+ 428.16102 200.6
[M+HCOO]- 490.16196 226.7
[M+CH3COO]- 504.17761 230.1
[M+Na-2H]- 466.13843 209.3
[M]+ 445.16321 207.8
[M]- 445.16431 207.8
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.