CID 3067403

4-(cyclopropylmethyl)-n,n-dimethyl-gamma-phenyl-1-piperazinepropanamine maleate (1:3)

Structural Information

Molecular Formula
C19H31N3
SMILES
CC1CN(CCN1CC2CC2)C3CCN(C4C3C=CC=C4)C
InChI
InChI=1S/C19H31N3/c1-15-13-22(12-11-21(15)14-16-7-8-16)19-9-10-20(2)18-6-4-3-5-17(18)19/h3-6,15-19H,7-14H2,1-2H3
InChIKey
AVCJXXACPDMWOL-UHFFFAOYSA-N
Compound name
4-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]-1-methyl-3,4,4a,8a-tetrahydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.25908 186.7
[M+Na]+ 324.24102 192.0
[M-H]- 300.24452 191.3
[M+NH4]+ 319.28562 193.7
[M+K]+ 340.21496 185.8
[M+H-H2O]+ 284.24906 175.3
[M+HCOO]- 346.25000 196.9
[M+CH3COO]- 360.26565 193.5
[M+Na-2H]- 322.22647 185.2
[M]+ 301.25125 181.3
[M]- 301.25235 181.3
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.