CID 2566080

5-chloro-2-(4-ethylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C12H18ClN3
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C12H18ClN3/c1-2-15-5-7-16(8-6-15)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8,14H2,1H3
InChIKey
KLVUMLIJOJJXAM-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-ethylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

239.11893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12621 156.0
[M+Na]+ 262.10815 163.1
[M-H]- 238.11165 158.8
[M+NH4]+ 257.15275 171.4
[M+K]+ 278.08209 157.8
[M+H-H2O]+ 222.11619 147.8
[M+HCOO]- 284.11713 169.8
[M+CH3COO]- 298.13278 193.7
[M+Na-2H]- 260.09360 158.7
[M]+ 239.11838 152.5
[M]- 239.11948 152.5
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