CID 75606993

Okkvlwnvtcnepo-uhfffaoysa-n

Structural Information

Molecular Formula
C27H39N3O3
SMILES
CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)N(C(=NC3CCCCC3)O2)C4CCCCC4)OC
InChI
InChI=1S/C27H39N3O3/c1-4-29(5-2)23-17-16-20(24(19-23)32-3)18-25-26(31)30(22-14-10-7-11-15-22)27(33-25)28-21-12-8-6-9-13-21/h16-19,21-22H,4-15H2,1-3H3
InChIKey
OKKVLWNVTCNEPO-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-cyclohexylimino-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

453.29913 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.306406 215.8
[M+Na]+ 476.288348 215.0
[M-H]- 452.291854 227.5
[M+NH4]+ 471.332953 223.1
[M+K]+ 492.262288 211.7
[M+H-H2O]+ 436.296390 204.0
[M+HCOO]- 498.297331 230.3
[M+CH3COO]- 512.312981 242.6
[M+Na-2H]- 474.273796 209.0
[M]+ 453.29858142 210.0
[M]- 453.29967858 210.0
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

patents stripe