CID 24697610

2-(4-methylpiperazine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C15H21N3O
SMILES
CN1CCN(CC1)C(=O)C2CCC3=CC=CC=C3N2
InChI
InChI=1S/C15H21N3O/c1-17-8-10-18(11-9-17)15(19)14-7-6-12-4-2-3-5-13(12)16-14/h2-5,14,16H,6-11H2,1H3
InChIKey
ZIHVGIIPGAVKNI-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.9
[M+Na]+ 282.157678 167.8
[M-H]- 258.161184 164.3
[M+NH4]+ 277.202283 176.2
[M+K]+ 298.131618 162.8
[M+H-H2O]+ 242.165720 153.8
[M+HCOO]- 304.166661 174.2
[M+CH3COO]- 318.182311 172.0
[M+Na-2H]- 280.143126 166.3
[M]+ 259.16791142 155.3
[M]- 259.16900858 155.3
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.