CID 6481548

1-amino-3-phenyl-3h-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile

Structural Information

Molecular Formula
C19H12N4O
SMILES
C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4OC3=C2C#N)N)C#N
InChI
InChI=1S/C19H12N4O/c20-10-13-17(12-6-2-1-3-7-12)14(11-21)19-23(18(13)22)15-8-4-5-9-16(15)24-19/h1-9,17H,22H2
InChIKey
FFDZQTVMYAMVBU-UHFFFAOYSA-N
Compound name
1-amino-3-phenyl-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

312.1011 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10838 183.3
[M+Na]+ 335.09032 195.7
[M-H]- 311.09382 186.8
[M+NH4]+ 330.13492 192.8
[M+K]+ 351.06426 185.3
[M+H-H2O]+ 295.09836 166.1
[M+HCOO]- 357.09930 192.7
[M+CH3COO]- 371.11495 189.0
[M+Na-2H]- 333.07577 183.4
[M]+ 312.10055 174.6
[M]- 312.10165 174.6
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.