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]+ 382.20128 191.4
[M+Na]+ 404.18322 197.6
[M-H]- 380.18672 205.0
[M+NH4]+ 399.22782 201.1
[M+K]+ 420.15716 197.4
[M+H-H2O]+ 364.19126 184.3
[M+HCOO]- 426.19220 207.7
[M+CH3COO]- 440.20785 202.1
[M+Na-2H]- 402.16867 190.8
[M]+ 381.19345 194.8
[M]- 381.19455 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.