CID 453072

133671-66-6

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CO3
InChI
InChI=1S/C17H19N3O/c1-20(2)10-9-18-15-12-16(17-8-5-11-21-17)19-14-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKey
CRGKLHXVNVZAPA-UHFFFAOYSA-N
Compound name
N-[2-(furan-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.1528 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.4
[M+Na]+ 304.14202 173.4
[M-H]- 280.14552 174.1
[M+NH4]+ 299.18662 181.6
[M+K]+ 320.11596 170.6
[M+H-H2O]+ 264.15006 156.4
[M+HCOO]- 326.15100 191.3
[M+CH3COO]- 340.16665 178.1
[M+Na-2H]- 302.12747 172.6
[M]+ 281.15225 169.7
[M]- 281.15335 169.7
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.