CID 86251

Brn 5445196

Structural Information

Molecular Formula
C15H22N4O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C15H22N4O/c1-12-2-4-13(5-3-12)19-8-6-18(7-9-19)11-14-10-17-15(16)20-14/h2-5,14H,6-11H2,1H3,(H2,16,17)
InChIKey
XTEZFEOTYNRMGX-UHFFFAOYSA-N
Compound name
5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.17935 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 166.8
[M+Na]+ 297.16857 172.2
[M-H]- 273.17207 172.0
[M+NH4]+ 292.21317 178.4
[M+K]+ 313.14251 168.7
[M+H-H2O]+ 257.17661 156.2
[M+HCOO]- 319.17755 182.9
[M+CH3COO]- 333.19320 176.5
[M+Na-2H]- 295.15402 167.6
[M]+ 274.17880 161.8
[M]- 274.17990 161.8
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.