CID 4770983

3-chloro-4-(4-propylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C13H20ClN3
SMILES
CCCN1CCN(CC1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H20ClN3/c1-2-5-16-6-8-17(9-7-16)13-4-3-11(15)10-12(13)14/h3-4,10H,2,5-9,15H2,1H3
InChIKey
WAIBSPQFSCBTIU-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-propylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.13458 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14186 160.5
[M+Na]+ 276.12380 167.2
[M-H]- 252.12730 163.0
[M+NH4]+ 271.16840 175.3
[M+K]+ 292.09774 161.6
[M+H-H2O]+ 236.13184 152.1
[M+HCOO]- 298.13278 173.9
[M+CH3COO]- 312.14843 196.7
[M+Na-2H]- 274.10925 162.6
[M]+ 253.13403 157.3
[M]- 253.13513 157.3
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