CID 363864

Nsc629153

Structural Information

Molecular Formula
C24H22N2O4
SMILES
COC1=CC(=C(C(=C1)OC)C2=NOC(C2)N3C4=CC=CC=C4C5=CC=CC=C53)OC
InChI
InChI=1S/C24H22N2O4/c1-27-15-12-21(28-2)24(22(13-15)29-3)18-14-23(30-25-18)26-19-10-6-4-8-16(19)17-9-5-7-11-20(17)26/h4-13,23H,14H2,1-3H3
InChIKey
OVYFGWBMKUNVHY-UHFFFAOYSA-N
Compound name
5-carbazol-9-yl-3-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.165236 196.1
[M+Na]+ 425.147178 206.7
[M-H]- 401.150684 207.3
[M+NH4]+ 420.191783 208.6
[M+K]+ 441.121118 202.6
[M+H-H2O]+ 385.155220 186.7
[M+HCOO]- 447.156161 216.2
[M+CH3COO]- 461.171811 207.4
[M+Na-2H]- 423.132626 196.8
[M]+ 402.15741142 204.4
[M]- 402.15850858 204.4
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.