CID 3040732

Piperazine, 1-(3-(diphenylamino)propyl)-4-(o-methoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H31N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H31N3O/c1-30-26-16-9-8-15-25(26)28-21-19-27(20-22-28)17-10-18-29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16H,10,17-22H2,1H3
InChIKey
QMBLWOUPNDWVSH-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2467 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.253976 200.6
[M+Na]+ 424.235918 202.0
[M-H]- 400.239424 209.3
[M+NH4]+ 419.280523 207.2
[M+K]+ 440.209858 196.0
[M+H-H2O]+ 384.243960 186.5
[M+HCOO]- 446.244901 217.7
[M+CH3COO]- 460.260551 207.4
[M+Na-2H]- 422.221366 202.4
[M]+ 401.24615142 197.2
[M]- 401.24724858 197.2
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.