CID 3070622

Brn 5580779

Structural Information

Molecular Formula
C17H24N4O
SMILES
CC1CN(CCN1C2=CC(=NO2)C3=CC=CC=C3)CCCN
InChI
InChI=1S/C17H24N4O/c1-14-13-20(9-5-8-18)10-11-21(14)17-12-16(19-22-17)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13,18H2,1H3
InChIKey
OUFHYIBBURLCQP-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 174.2
[M+Na]+ 323.18422 186.5
[M+NH4]+ 318.22882 181.2
[M+K]+ 339.15816 181.5
[M-H]- 299.18772 180.0
[M+Na-2H]- 321.16967 180.8
[M]+ 300.19445 177.5
[M]- 300.19555 177.5
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.