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 181.3
[M+Na]+ 350.18389 187.0
[M-H]- 326.18739 186.7
[M+NH4]+ 345.22849 191.3
[M+K]+ 366.15783 182.8
[M+H-H2O]+ 310.19193 170.2
[M+HCOO]- 372.19287 197.4
[M+CH3COO]- 386.20852 207.9
[M+Na-2H]- 348.16934 181.3
[M]+ 327.19412 181.1
[M]- 327.19522 181.2
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.