CID 130345472

Sw-100

Structural Information

Molecular Formula
C17H17ClN2O2
SMILES
C1CC2=C(C=CC(=C2)Cl)N(C1)CC3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C17H17ClN2O2/c18-15-7-8-16-14(10-15)2-1-9-20(16)11-12-3-5-13(6-4-12)17(21)19-22/h3-8,10,22H,1-2,9,11H2,(H,19,21)
InChIKey
MNAYBFFSFQRSIT-UHFFFAOYSA-N
Compound name
4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

28
Patents

316.09787 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10515 171.2
[M+Na]+ 339.08709 178.0
[M-H]- 315.09059 175.4
[M+NH4]+ 334.13169 185.0
[M+K]+ 355.06103 171.6
[M+H-H2O]+ 299.09513 163.2
[M+HCOO]- 361.09607 184.7
[M+CH3COO]- 375.11172 181.0
[M+Na-2H]- 337.07254 175.2
[M]+ 316.09732 170.1
[M]- 316.09842 170.1
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