CID 3059997

77562-90-4

Structural Information

Molecular Formula
C20H27N3
SMILES
CC(CN1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C20H27N3/c1-18(21-20-10-6-3-7-11-20)16-22-12-14-23(15-13-22)17-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
InChIKey
ICGRWRFQVRVQIH-UHFFFAOYSA-N
Compound name
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.2205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 178.9
[M+Na]+ 332.20972 192.1
[M+NH4]+ 327.25432 187.3
[M+K]+ 348.18366 182.9
[M-H]- 308.21322 185.4
[M+Na-2H]- 330.19517 188.7
[M]+ 309.21995 182.6
[M]- 309.22105 182.6
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