CID 7164653

Methyl({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)amine

Structural Information

Molecular Formula
C14H23N3
SMILES
CNCC1=CC=C(C=C1)CN2CCN(CC2)C
InChI
InChI=1S/C14H23N3/c1-15-11-13-3-5-14(6-4-13)12-17-9-7-16(2)8-10-17/h3-6,15H,7-12H2,1-2H3
InChIKey
ITFXPPPQNKXGRV-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.1892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 157.5
[M+Na]+ 256.178418 162.0
[M-H]- 232.181924 160.3
[M+NH4]+ 251.223023 172.2
[M+K]+ 272.152358 158.3
[M+H-H2O]+ 216.186460 148.1
[M+HCOO]- 278.187401 175.9
[M+CH3COO]- 292.203051 195.5
[M+Na-2H]- 254.163866 161.5
[M]+ 233.18865142 153.3
[M]- 233.18974858 153.3
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