CID 370747

Nsc644270

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC(C)(C)C1COC(=N1)C2=C(C(=CC=C2)OC)C3=CC=CC=C3C4OCCO4
InChI
InChI=1S/C23H27NO4/c1-23(2,3)19-14-28-21(24-19)17-10-7-11-18(25-4)20(17)15-8-5-6-9-16(15)22-26-12-13-27-22/h5-11,19,22H,12-14H2,1-4H3
InChIKey
LRSSDCACGNOHRM-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[2-[2-(1,3-dioxolan-2-yl)phenyl]-3-methoxyphenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.201276 191.4
[M+Na]+ 404.183218 197.6
[M-H]- 380.186724 205.0
[M+NH4]+ 399.227823 201.1
[M+K]+ 420.157158 197.4
[M+H-H2O]+ 364.191260 184.3
[M+HCOO]- 426.192201 207.7
[M+CH3COO]- 440.207851 202.1
[M+Na-2H]- 402.168666 190.8
[M]+ 381.19345142 194.8
[M]- 381.19454858 194.8
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.