CID 11731824

Chembl471736

Structural Information

Molecular Formula
C23H21N3O3
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O3/c1-26(2)19-11-8-17(9-12-19)22-25-20-14-18(10-13-21(20)29-22)24-23(27)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,24,27)
InChIKey
BOIGFSVSRSLFEZ-UHFFFAOYSA-N
Compound name
benzyl N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.1583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.165576 193.2
[M+Na]+ 410.147518 200.2
[M-H]- 386.151024 205.1
[M+NH4]+ 405.192123 204.3
[M+K]+ 426.121458 197.2
[M+H-H2O]+ 370.155560 182.6
[M+HCOO]- 432.156501 217.6
[M+CH3COO]- 446.172151 204.0
[M+Na-2H]- 408.132966 197.7
[M]+ 387.15775142 198.4
[M]- 387.15884858 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.