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]+ 328.201946 181.3
[M+Na]+ 350.183888 187.0
[M-H]- 326.187394 186.7
[M+NH4]+ 345.228493 191.3
[M+K]+ 366.157828 182.8
[M+H-H2O]+ 310.191930 170.2
[M+HCOO]- 372.192871 197.4
[M+CH3COO]- 386.208521 207.9
[M+Na-2H]- 348.169336 181.3
[M]+ 327.19412142 181.1
[M]- 327.19521858 181.1
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.