CID 75525862

3-methyl-5-[4-(propan-2-yl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C14H23N3
SMILES
CC1=CC(=CC(=C1)N2CCN(CC2)C(C)C)N
InChI
InChI=1S/C14H23N3/c1-11(2)16-4-6-17(7-5-16)14-9-12(3)8-13(15)10-14/h8-11H,4-7,15H2,1-3H3
InChIKey
RMXOEQNBXVIPIR-UHFFFAOYSA-N
Compound name
3-methyl-5-(4-propan-2-ylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 157.7
[M+Na]+ 256.17842 169.7
[M+NH4]+ 251.22302 165.7
[M+K]+ 272.15236 163.0
[M-H]- 232.18192 161.6
[M+Na-2H]- 254.16387 164.0
[M]+ 233.18865 160.4
[M]- 233.18975 160.4
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