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

61
Patents

235.16846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 157.0
[M+Na]+ 258.15768 163.0
[M-H]- 234.16118 160.0
[M+NH4]+ 253.20228 171.7
[M+K]+ 274.13162 159.6
[M+H-H2O]+ 218.16572 148.1
[M+HCOO]- 280.16666 175.4
[M+CH3COO]- 294.18231 195.1
[M+Na-2H]- 256.14313 159.8
[M]+ 235.16791 153.4
[M]- 235.16901 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