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]+ 264.207046 166.1
[M+Na]+ 286.188988 170.8
[M-H]- 262.192494 168.8
[M+NH4]+ 281.233593 179.5
[M+K]+ 302.162928 167.6
[M+H-H2O]+ 246.197030 156.9
[M+HCOO]- 308.197971 182.7
[M+CH3COO]- 322.213621 202.0
[M+Na-2H]- 284.174436 166.6
[M]+ 263.19922142 162.5
[M]- 263.20031858 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