CID 59452785

2-ethoxy-4-[4-(propan-2-yl)piperazin-1-yl]aniline trihydrochloride

Structural Information

Molecular Formula
C15H25N3O
SMILES
CCOC1=C(C=CC(=C1)N2CCN(CC2)C(C)C)N
InChI
InChI=1S/C15H25N3O/c1-4-19-15-11-13(5-6-14(15)16)18-9-7-17(8-10-18)12(2)3/h5-6,11-12H,4,7-10,16H2,1-3H3
InChIKey
WUINXRLUBJGSIZ-UHFFFAOYSA-N
Compound name
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.19977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 165.2
[M+Na]+ 286.18899 176.4
[M+NH4]+ 281.23359 172.5
[M+K]+ 302.16293 170.1
[M-H]- 262.19249 168.5
[M+Na-2H]- 284.17444 170.7
[M]+ 263.19922 167.5
[M]- 263.20032 167.5
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

patents stripe