CID 11091117

Chembl471925

Structural Information

Molecular Formula
C23H20ClN3O3
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H20ClN3O3/c1-27(2)19-10-5-16(6-11-19)22-26-20-13-18(9-12-21(20)30-22)25-23(28)29-14-15-3-7-17(24)8-4-15/h3-13H,14H2,1-2H3,(H,25,28)
InChIKey
LTRPYCPPYWCBNG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl 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

421.11932 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12660 202.1
[M+Na]+ 444.10854 210.7
[M-H]- 420.11204 214.0
[M+NH4]+ 439.15314 213.0
[M+K]+ 460.08248 206.4
[M+H-H2O]+ 404.11658 192.0
[M+HCOO]- 466.11752 221.8
[M+CH3COO]- 480.13317 212.7
[M+Na-2H]- 442.09399 205.1
[M]+ 421.11877 210.3
[M]- 421.11987 210.3
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.