CID 3040725

Piperazine, 1-(3-(diphenylamino)propyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C20H27N3
SMILES
CN1CCN(CC1)CCCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3/c1-21-15-17-22(18-16-21)13-8-14-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3
InChIKey
VDFSBKJUYAZBNN-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.2205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 176.8
[M+Na]+ 332.20972 179.1
[M-H]- 308.21322 183.0
[M+NH4]+ 327.25432 187.9
[M+K]+ 348.18366 174.4
[M+H-H2O]+ 292.21776 164.9
[M+HCOO]- 354.21870 194.9
[M+CH3COO]- 368.23435 185.4
[M+Na-2H]- 330.19517 180.2
[M]+ 309.21995 172.7
[M]- 309.22105 172.7
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

patents stripe