CID 370995

1-propanol, 3-[(7-chloro-4-quinolinyl)amino]-

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCO
InChI
InChI=1S/C12H13ClN2O/c13-9-2-3-10-11(14-5-1-7-16)4-6-15-12(10)8-9/h2-4,6,8,16H,1,5,7H2,(H,14,15)
InChIKey
MCVPFDOUKZBWJF-UHFFFAOYSA-N
Compound name
3-[(7-chloroquinolin-4-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

236.07164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 149.5
[M+Na]+ 259.06086 158.4
[M-H]- 235.06436 151.2
[M+NH4]+ 254.10546 167.2
[M+K]+ 275.03480 152.6
[M+H-H2O]+ 219.06890 143.2
[M+HCOO]- 281.06984 166.8
[M+CH3COO]- 295.08549 190.8
[M+Na-2H]- 257.04631 157.5
[M]+ 236.07109 151.5
[M]- 236.07219 151.5
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.