CID 86248

Brn 5448272

Structural Information

Molecular Formula
C15H22N4O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C15H22N4O2/c1-20-13-4-2-3-12(9-13)19-7-5-18(6-8-19)11-14-10-17-15(16)21-14/h2-4,9,14H,5-8,10-11H2,1H3,(H2,16,17)
InChIKey
JHNZJFIWXSOTQM-UHFFFAOYSA-N
Compound name
5-[[4-(3-methoxyphenyl)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

290.1743 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.181576 169.3
[M+Na]+ 313.163518 174.4
[M-H]- 289.167024 174.5
[M+NH4]+ 308.208123 180.1
[M+K]+ 329.137458 171.6
[M+H-H2O]+ 273.171560 158.6
[M+HCOO]- 335.172501 185.5
[M+CH3COO]- 349.188151 178.8
[M+Na-2H]- 311.148966 170.2
[M]+ 290.17375142 165.6
[M]- 290.17484858 165.6
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.