CID 3072842

144881-38-9

Structural Information

Molecular Formula
C16H25N5O
SMILES
CN(C)C1=CC=C(C=C1)N2CCN(CC2)CC3CN=C(O3)N
InChI
InChI=1S/C16H25N5O/c1-19(2)13-3-5-14(6-4-13)21-9-7-20(8-10-21)12-15-11-18-16(17)22-15/h3-6,15H,7-12H2,1-2H3,(H2,17,18)
InChIKey
PAGGCFCCWFPUFN-UHFFFAOYSA-N
Compound name
5-[[4-[4-(dimethylamino)phenyl]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

303.2059 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.21318 174.5
[M+Na]+ 326.19512 178.6
[M-H]- 302.19862 181.0
[M+NH4]+ 321.23972 185.2
[M+K]+ 342.16906 176.3
[M+H-H2O]+ 286.20316 163.3
[M+HCOO]- 348.20410 191.8
[M+CH3COO]- 362.21975 183.7
[M+Na-2H]- 324.18057 174.8
[M]+ 303.20535 170.4
[M]- 303.20645 170.4
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.