CID 6481550

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

Structural Information

Molecular Formula
C20H14N4O2
SMILES
COC1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4OC3=C2C#N)N)C#N
InChI
InChI=1S/C20H14N4O2/c1-25-13-8-6-12(7-9-13)18-14(10-21)19(23)24-16-4-2-3-5-17(16)26-20(24)15(18)11-22/h2-9,18H,23H2,1H3
InChIKey
DGLHDXXCSGSJEB-UHFFFAOYSA-N
Compound name
1-amino-3-(4-methoxyphenyl)-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

342.11166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 187.7
[M+Na]+ 365.10088 200.0
[M-H]- 341.10438 191.4
[M+NH4]+ 360.14548 196.6
[M+K]+ 381.07482 190.4
[M+H-H2O]+ 325.10892 170.5
[M+HCOO]- 387.10986 197.0
[M+CH3COO]- 401.12551 193.2
[M+Na-2H]- 363.08633 187.2
[M]+ 342.11111 180.3
[M]- 342.11221 180.3
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.