CID 3070613

Brn 5600788

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1CN(CCN1C2=CC(=NO2)C3=CC=CC=C3)CCC(=O)N
InChI
InChI=1S/C17H22N4O2/c1-13-12-20(8-7-16(18)22)9-10-21(13)17-11-15(19-23-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,22)
InChIKey
LRXPJJRXCWWFMG-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 176.4
[M+Na]+ 337.163518 181.6
[M-H]- 313.167024 181.8
[M+NH4]+ 332.208123 186.1
[M+K]+ 353.137458 178.1
[M+H-H2O]+ 297.171560 165.6
[M+HCOO]- 359.172501 192.6
[M+CH3COO]- 373.188151 185.5
[M+Na-2H]- 335.148966 176.1
[M]+ 314.17375142 173.5
[M]- 314.17484858 173.5
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

No patent data available for this compound.