CID 3057644

Brn 0815819

Structural Information

Molecular Formula
C18H23N3
SMILES
CC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H23N3/c1-15-7-8-16(13-18(15)19)14-20-9-11-21(12-10-20)17-5-3-2-4-6-17/h2-8,13H,9-12,14,19H2,1H3
InChIKey
VXQYSQFTYPEQRT-UHFFFAOYSA-N
Compound name
2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 170.3
[M+Na]+ 304.17842 184.8
[M+NH4]+ 299.22302 179.0
[M+K]+ 320.15236 175.9
[M-H]- 280.18192 177.1
[M+Na-2H]- 302.16387 180.0
[M]+ 281.18865 174.4
[M]- 281.18975 174.4
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

No patent data available for this compound.