CID 2831075

2-amino-4-(3-bromophenyl)-7-hydroxy-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H11BrN2O2
SMILES
C1=CC(=CC(=C1)Br)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N
InChI
InChI=1S/C16H11BrN2O2/c17-10-3-1-2-9(6-10)15-12-5-4-11(20)7-14(12)21-16(19)13(15)8-18/h1-7,15,20H,19H2
InChIKey
VJWKHMRCIPDUDC-UHFFFAOYSA-N
Compound name
2-amino-4-(3-bromophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.0004 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00768 174.4
[M+Na]+ 364.98962 188.3
[M-H]- 340.99312 180.6
[M+NH4]+ 360.03422 188.5
[M+K]+ 380.96356 174.3
[M+H-H2O]+ 324.99766 166.1
[M+HCOO]- 386.99860 190.9
[M+CH3COO]- 401.01425 185.5
[M+Na-2H]- 362.97507 178.8
[M]+ 341.99985 184.9
[M]- 342.00095 184.9
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.