CID 56436

92532-77-9

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CN1C2=C(C=C(C=C2)CCN3CCN(CC3)C4=CC=CC=C4OC)OC1=O
InChI
InChI=1S/C21H25N3O3/c1-22-17-8-7-16(15-20(17)27-21(22)25)9-10-23-11-13-24(14-12-23)18-5-3-4-6-19(18)26-2/h3-8,15H,9-14H2,1-2H3
InChIKey
KHUHQDZUENTTRU-UHFFFAOYSA-N
Compound name
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.1896 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 189.7
[M+Na]+ 390.17882 198.3
[M-H]- 366.18232 197.1
[M+NH4]+ 385.22342 199.3
[M+K]+ 406.15276 193.5
[M+H-H2O]+ 350.18686 178.4
[M+HCOO]- 412.18780 206.1
[M+CH3COO]- 426.20345 199.5
[M+Na-2H]- 388.16427 190.8
[M]+ 367.18905 192.5
[M]- 367.19015 192.5
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

patents stripe