CID 5274784

2-(cyclohexanecarbonylamino)-n-[2-(2-naphthylmethylamino)ethyl]-1,3-benzoxazole-6-carboxamide

Structural Information

Molecular Formula
C28H30N4O3
SMILES
C1CCC(CC1)C(=O)NC2=NC3=C(O2)C=C(C=C3)C(=O)NCCNCC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C28H30N4O3/c33-26(30-15-14-29-18-19-10-11-20-6-4-5-9-22(20)16-19)23-12-13-24-25(17-23)35-28(31-24)32-27(34)21-7-2-1-3-8-21/h4-6,9-13,16-17,21,29H,1-3,7-8,14-15,18H2,(H,30,33)(H,31,32,34)
InChIKey
AQRMHKKRHFUMLY-UHFFFAOYSA-N
Compound name
2-(cyclohexanecarbonylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzoxazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.23178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23906 208.7
[M+Na]+ 493.22100 210.3
[M-H]- 469.22450 217.8
[M+NH4]+ 488.26560 215.4
[M+K]+ 509.19494 205.5
[M+H-H2O]+ 453.22904 197.2
[M+HCOO]- 515.22998 226.3
[M+CH3COO]- 529.24563 215.1
[M+Na-2H]- 491.20645 211.6
[M]+ 470.23123 207.0
[M]- 470.23233 207.0
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.