CID 101745

525-60-0

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC(CCN(C)C)NC1=C2C(=CC(=C1)O)C=CC=N2
InChI
InChI=1S/C15H21N3O/c1-11(6-8-18(2)3)17-14-10-13(19)9-12-5-4-7-16-15(12)14/h4-5,7,9-11,17,19H,6,8H2,1-3H3
InChIKey
BSFODEXXVBBYOC-UHFFFAOYSA-N
Compound name
8-[4-(dimethylamino)butan-2-ylamino]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6899
Patents

259.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 161.5
[M+Na]+ 282.15768 167.2
[M-H]- 258.16118 164.4
[M+NH4]+ 277.20228 177.6
[M+K]+ 298.13162 164.5
[M+H-H2O]+ 242.16572 153.5
[M+HCOO]- 304.16666 182.9
[M+CH3COO]- 318.18231 205.4
[M+Na-2H]- 280.14313 166.8
[M]+ 259.16791 162.4
[M]- 259.16901 162.4
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