CID 364824

2-amino-4-phenyl-4h-pyrano[3,2-h]quinoline-3-carbonitrile

Structural Information

Molecular Formula
C19H13N3O
SMILES
C1=CC=C(C=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N
InChI
InChI=1S/C19H13N3O/c20-11-15-16(12-5-2-1-3-6-12)14-9-8-13-7-4-10-22-17(13)18(14)23-19(15)21/h1-10,16H,21H2
InChIKey
VNPNHFYNGHHFDS-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

299.10587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11315 174.8
[M+Na]+ 322.09509 186.6
[M-H]- 298.09859 179.7
[M+NH4]+ 317.13969 186.9
[M+K]+ 338.06903 177.6
[M+H-H2O]+ 282.10313 159.0
[M+HCOO]- 344.10407 190.0
[M+CH3COO]- 358.11972 184.0
[M+Na-2H]- 320.08054 180.8
[M]+ 299.10532 168.4
[M]- 299.10642 168.4
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