CID 54896

Brn 3635065

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CC(C(=O)C1=CC2=C(C=C1)N(C(=O)O2)C)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C22H25N3O4/c1-15(21(26)16-8-9-17-20(14-16)29-22(27)23(17)2)24-10-12-25(13-11-24)18-6-4-5-7-19(18)28-3/h4-9,14-15H,10-13H2,1-3H3
InChIKey
SCBSKCDYMPWFHI-UHFFFAOYSA-N
Compound name
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoyl]-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1845 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 195.1
[M+Na]+ 418.17372 202.5
[M-H]- 394.17722 202.6
[M+NH4]+ 413.21832 203.0
[M+K]+ 434.14766 198.8
[M+H-H2O]+ 378.18176 184.0
[M+HCOO]- 440.18270 209.5
[M+CH3COO]- 454.19835 204.1
[M+Na-2H]- 416.15917 193.8
[M]+ 395.18395 197.8
[M]- 395.18505 197.8
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

No patent data available for this compound.