CID 59291170

2-ethoxy-4-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCOC1=C(C=CC(=C1)N2CCN(CC2)C)N
InChI
InChI=1S/C13H21N3O/c1-3-17-13-10-11(4-5-12(13)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,14H2,1-2H3
InChIKey
HDSSNQFHRRRXFG-UHFFFAOYSA-N
Compound name
2-ethoxy-4-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

235.16846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.175736 157.0
[M+Na]+ 258.157678 163.0
[M-H]- 234.161184 160.0
[M+NH4]+ 253.202283 171.7
[M+K]+ 274.131618 159.6
[M+H-H2O]+ 218.165720 148.1
[M+HCOO]- 280.166661 175.4
[M+CH3COO]- 294.182311 195.1
[M+Na-2H]- 256.143126 159.8
[M]+ 235.16791142 153.4
[M]- 235.16900858 153.4
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