CID 156907049

(4r)-6-chloro-n-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2h-1-benzopyran-4-carboxamide

Structural Information

Molecular Formula
C20H17ClN2O2
SMILES
C[C@]1(CCOC2=C1C=C(C=C2)Cl)C(=O)NC3=CN=CC4=CC=CC=C43
InChI
InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1
InChIKey
CPQDCUNLQZNEBN-HXUWFJFHSA-N
Compound name
(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.09787 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10515 181.5
[M+Na]+ 375.08709 189.9
[M-H]- 351.09059 188.6
[M+NH4]+ 370.13169 195.9
[M+K]+ 391.06103 184.5
[M+H-H2O]+ 335.09513 172.0
[M+HCOO]- 397.09607 194.1
[M+CH3COO]- 411.11172 191.6
[M+Na-2H]- 373.07254 188.6
[M]+ 352.09732 182.8
[M]- 352.09842 182.8
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

No patent data available for this compound.