CID 100776

64097-53-6

Structural Information

Molecular Formula
C18H23N3
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H23N3/c1-20-11-13-21(14-12-20)15-16-7-9-18(10-8-16)19-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKey
OWIHDWJTXBCFSO-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperazin-1-yl)methyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 168.4
[M+Na]+ 304.17842 172.5
[M-H]- 280.18192 174.0
[M+NH4]+ 299.22302 180.5
[M+K]+ 320.15236 166.9
[M+H-H2O]+ 264.18646 157.4
[M+HCOO]- 326.18740 186.7
[M+CH3COO]- 340.20305 177.7
[M+Na-2H]- 302.16387 172.9
[M]+ 281.18865 162.9
[M]- 281.18975 162.9
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.