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]+ 402.25398 200.6
[M+Na]+ 424.23592 202.0
[M-H]- 400.23942 209.3
[M+NH4]+ 419.28052 207.2
[M+K]+ 440.20986 196.0
[M+H-H2O]+ 384.24396 186.5
[M+HCOO]- 446.24490 217.7
[M+CH3COO]- 460.26055 207.4
[M+Na-2H]- 422.22137 202.4
[M]+ 401.24615 197.2
[M]- 401.24725 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.