CID 498058

Chembl59208

Structural Information

Molecular Formula
C24H31N3
SMILES
CCN(CC)CCCC(C)NC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C24H31N3/c1-4-27(5-2)17-11-12-19(3)25-24-18-23(20-13-7-6-8-14-20)26-22-16-10-9-15-21(22)24/h6-10,13-16,18-19H,4-5,11-12,17H2,1-3H3,(H,25,26)
InChIKey
JHXAMHYEYLEFAG-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(2-phenylquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

361.2518 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 192.5
[M+Na]+ 384.24102 195.9
[M-H]- 360.24452 198.6
[M+NH4]+ 379.28562 204.4
[M+K]+ 400.21496 190.5
[M+H-H2O]+ 344.24906 181.6
[M+HCOO]- 406.25000 213.3
[M+CH3COO]- 420.26565 228.3
[M+Na-2H]- 382.22647 196.0
[M]+ 361.25125 194.1
[M]- 361.25235 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe