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

literature stripe

Patent stripe

patents stripe