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

4
Patents

367.1896 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 189.7
[M+Na]+ 390.178818 198.3
[M-H]- 366.182324 197.1
[M+NH4]+ 385.223423 199.3
[M+K]+ 406.152758 193.5
[M+H-H2O]+ 350.186860 178.4
[M+HCOO]- 412.187801 206.1
[M+CH3COO]- 426.203451 199.5
[M+Na-2H]- 388.164266 190.8
[M]+ 367.18905142 192.5
[M]- 367.19014858 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