CID 2118783

4-(4-ethylpiperazin-1-yl)-3-methylaniline

Structural Information

Molecular Formula
C13H21N3
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)N)C
InChI
InChI=1S/C13H21N3/c1-3-15-6-8-16(9-7-15)13-5-4-12(14)10-11(13)2/h4-5,10H,3,6-9,14H2,1-2H3
InChIKey
JJVFGPRIMUANRY-UHFFFAOYSA-N
Compound name
4-(4-ethylpiperazin-1-yl)-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

219.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 154.0
[M+Na]+ 242.162768 160.0
[M-H]- 218.166274 157.0
[M+NH4]+ 237.207373 169.4
[M+K]+ 258.136708 156.2
[M+H-H2O]+ 202.170810 145.2
[M+HCOO]- 264.171751 172.1
[M+CH3COO]- 278.187401 193.0
[M+Na-2H]- 240.148216 156.8
[M]+ 219.17300142 148.9
[M]- 219.17409858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe