CID 18071299

1016703-42-6

Structural Information

Molecular Formula
C18H23N3
SMILES
C1CN(CCN1CC2=CC=CC=C2CN)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3/c19-14-16-6-4-5-7-17(16)15-20-10-12-21(13-11-20)18-8-2-1-3-9-18/h1-9H,10-15,19H2
InChIKey
ZZHCKLZZRXPGSD-UHFFFAOYSA-N
Compound name
[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 168.9
[M+Na]+ 304.178418 173.0
[M-H]- 280.181924 174.1
[M+NH4]+ 299.223023 180.7
[M+K]+ 320.152358 167.0
[M+H-H2O]+ 264.186460 158.0
[M+HCOO]- 326.187401 186.6
[M+CH3COO]- 340.203051 178.0
[M+Na-2H]- 302.163866 172.4
[M]+ 281.18865142 162.4
[M]- 281.18974858 162.4
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.