CID 3059993

N-(1-methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate

Structural Information

Molecular Formula
C16H27N3
SMILES
CC(C)C1CN(CCN1CC(C)N)C2=CC=CC=C2
InChI
InChI=1S/C16H27N3/c1-13(2)16-12-18(15-7-5-4-6-8-15)9-10-19(16)11-14(3)17/h4-8,13-14,16H,9-12,17H2,1-3H3
InChIKey
AURCTVLBMKAJMO-UHFFFAOYSA-N
Compound name
1-(4-phenyl-2-propan-2-ylpiperazin-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.2205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.22778 167.2
[M+Na]+ 284.20972 170.4
[M-H]- 260.21322 169.4
[M+NH4]+ 279.25432 180.4
[M+K]+ 300.18366 166.8
[M+H-H2O]+ 244.21776 157.9
[M+HCOO]- 306.21870 182.3
[M+CH3COO]- 320.23435 202.6
[M+Na-2H]- 282.19517 166.8
[M]+ 261.21995 161.5
[M]- 261.22105 161.5
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.