CID 3059999

N-(1-methyl-2-(4-phenethylpiperazino)ethyl)aniline oxalate hydrate (2:4:1)

Structural Information

Molecular Formula
C21H29N3
SMILES
CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H29N3/c1-19(22-21-10-6-3-7-11-21)18-24-16-14-23(15-17-24)13-12-20-8-4-2-5-9-20/h2-11,19,22H,12-18H2,1H3
InChIKey
FVRYBOCBMQEUEE-UHFFFAOYSA-N
Compound name
N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.23615 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 183.4
[M+Na]+ 346.22537 196.4
[M+NH4]+ 341.26997 191.6
[M+K]+ 362.19931 187.0
[M-H]- 322.22887 189.9
[M+Na-2H]- 344.21082 192.9
[M]+ 323.23560 187.1
[M]- 323.23670 187.1
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.