CID 3120966

2-amino-4-(2-chlorophenyl)-4h-pyrano[3,2-h]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C19H12ClN3O
SMILES
C1=CC=C(C(=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N)Cl
InChI
InChI=1S/C19H12ClN3O/c20-15-6-2-1-5-12(15)16-13-8-7-11-4-3-9-23-17(11)18(13)24-19(22)14(16)10-21/h1-9,16H,22H2
InChIKey
KMTZWSGNMZQACG-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chlorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0669 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07418 182.4
[M+Na]+ 356.05612 195.9
[M-H]- 332.05962 187.5
[M+NH4]+ 351.10072 194.4
[M+K]+ 372.03006 185.7
[M+H-H2O]+ 316.06416 167.4
[M+HCOO]- 378.06510 193.5
[M+CH3COO]- 392.08075 191.5
[M+Na-2H]- 354.04157 187.2
[M]+ 333.06635 178.7
[M]- 333.06745 178.7
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.