CID 3072945

145204-20-2

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CC(C)OC1=CC=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C17H26N4O2/c1-13(2)22-15-5-3-14(4-6-15)21-9-7-20(8-10-21)12-16-11-19-17(18)23-16/h3-6,13,16H,7-12H2,1-2H3,(H2,18,19)
InChIKey
OXQQRPQMFTWWFW-UHFFFAOYSA-N
Compound name
5-[[4-(4-propan-2-yloxyphenyl)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

318.20557 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 178.4
[M+Na]+ 341.194788 182.4
[M-H]- 317.198294 183.4
[M+NH4]+ 336.239393 188.1
[M+K]+ 357.168728 179.6
[M+H-H2O]+ 301.202830 167.6
[M+HCOO]- 363.203771 193.0
[M+CH3COO]- 377.219421 209.1
[M+Na-2H]- 339.180236 177.2
[M]+ 318.20502142 174.9
[M]- 318.20611858 174.9
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.