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 166.1
[M+Na]+ 286.18899 170.8
[M-H]- 262.19249 168.8
[M+NH4]+ 281.23359 179.5
[M+K]+ 302.16293 167.6
[M+H-H2O]+ 246.19703 156.9
[M+HCOO]- 308.19797 182.7
[M+CH3COO]- 322.21362 202.0
[M+Na-2H]- 284.17444 166.6
[M]+ 263.19922 162.5
[M]- 263.20032 162.5
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