CID 44828586

886362-15-8

Structural Information

Molecular Formula
C14H18Cl2N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C2=C1C=C(C=C2Cl)Cl)N
InChI
InChI=1S/C14H18Cl2N2O2/c1-14(2,3)20-13(19)18-5-4-10(17)12-9(16)6-8(15)7-11(12)18/h6-7,10H,4-5,17H2,1-3H3
InChIKey
LDZWNGAENNODAS-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-5,7-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08180 171.1
[M+Na]+ 339.06374 180.2
[M-H]- 315.06724 173.3
[M+NH4]+ 334.10834 187.1
[M+K]+ 355.03768 174.9
[M+H-H2O]+ 299.07178 166.3
[M+HCOO]- 361.07272 178.6
[M+CH3COO]- 375.08837 206.8
[M+Na-2H]- 337.04919 173.0
[M]+ 316.07397 173.2
[M]- 316.07507 173.2
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.