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]+ 234.19648 157.5
[M+Na]+ 256.17842 162.0
[M-H]- 232.18192 160.3
[M+NH4]+ 251.22302 172.2
[M+K]+ 272.15236 158.3
[M+H-H2O]+ 216.18646 148.1
[M+HCOO]- 278.18740 175.9
[M+CH3COO]- 292.20305 195.5
[M+Na-2H]- 254.16387 161.5
[M]+ 233.18865 153.3
[M]- 233.18975 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