CID 16076235

627519-58-8

Structural Information

Molecular Formula
C19H29N3
SMILES
CC(C)(C)CC(C)(C)NCCNC1=CC=CC2=C1C=CC=N2
InChI
InChI=1S/C19H29N3/c1-18(2,3)14-19(4,5)22-13-12-21-17-10-6-9-16-15(17)8-7-11-20-16/h6-11,21-22H,12-14H2,1-5H3
InChIKey
BBPWFPPRJAYRSP-UHFFFAOYSA-N
Compound name
N-quinolin-5-yl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.23615 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24343 176.9
[M+Na]+ 322.22537 181.6
[M-H]- 298.22887 179.2
[M+NH4]+ 317.26997 191.6
[M+K]+ 338.19931 177.2
[M+H-H2O]+ 282.23341 169.2
[M+HCOO]- 344.23435 195.5
[M+CH3COO]- 358.25000 212.7
[M+Na-2H]- 320.21082 184.8
[M]+ 299.23560 177.5
[M]- 299.23670 177.5
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.