CID 6481549

1-amino-3-(4-chlorophenyl)-3h-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile

Structural Information

Molecular Formula
C19H11ClN4O
SMILES
C1=CC=C2C(=C1)N3C(=C(C(C(=C3O2)C#N)C4=CC=C(C=C4)Cl)C#N)N
InChI
InChI=1S/C19H11ClN4O/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)24-15-3-1-2-4-16(15)25-19(24)14(17)10-22/h1-8,17H,23H2
InChIKey
RYILWIFGKAAHIP-UHFFFAOYSA-N
Compound name
1-amino-3-(4-chlorophenyl)-3H-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.06213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06941 189.0
[M+Na]+ 369.05135 202.7
[M-H]- 345.05485 192.7
[M+NH4]+ 364.09595 198.5
[M+K]+ 385.02529 191.4
[M+H-H2O]+ 329.05939 172.5
[M+HCOO]- 391.06033 195.6
[M+CH3COO]- 405.07598 194.7
[M+Na-2H]- 367.03680 188.3
[M]+ 346.06158 182.1
[M]- 346.06268 182.1
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

No patent data available for this compound.