CID 129318684

2725355-06-4

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
CC[N+](CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)(CCO)[O-]
InChI
InChI=1S/C18H26ClN3O2/c1-3-22(24,11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
OZFRZWJEVUVFPM-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-N-ethyl-N-(2-hydroxyethyl)pentan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.17136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.178636 182.7
[M+Na]+ 374.160578 186.9
[M-H]- 350.164084 183.2
[M+NH4]+ 369.205183 194.9
[M+K]+ 390.134518 176.7
[M+H-H2O]+ 334.168620 180.2
[M+HCOO]- 396.169561 196.7
[M+CH3COO]- 410.185211 209.2
[M+Na-2H]- 372.146026 189.7
[M]+ 351.17081142 183.9
[M]- 351.17190858 183.9
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