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]+ 388.16558 193.2
[M+Na]+ 410.14752 200.2
[M-H]- 386.15102 205.1
[M+NH4]+ 405.19212 204.3
[M+K]+ 426.12146 197.2
[M+H-H2O]+ 370.15556 182.6
[M+HCOO]- 432.15650 217.6
[M+CH3COO]- 446.17215 204.0
[M+Na-2H]- 408.13297 197.7
[M]+ 387.15775 198.4
[M]- 387.15885 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.