CID 6448485

139193-92-3

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCCN3CCN(CC3)C
InChI
InChI=1S/C19H25N3O2/c1-16-15-18(24-20-16)8-7-17-5-3-4-6-19(17)23-14-13-22-11-9-21(2)10-12-22/h3-8,15H,9-14H2,1-2H3/b8-7+
InChIKey
POLWWJFABRVEOJ-BQYQJAHWSA-N
Compound name
3-methyl-5-[(E)-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethenyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 181.5
[M+Na]+ 350.18389 194.6
[M+NH4]+ 345.22849 188.0
[M+K]+ 366.15783 188.8
[M-H]- 326.18739 186.5
[M+Na-2H]- 348.16934 187.8
[M]+ 327.19412 184.7
[M]- 327.19522 184.7
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.