CID 2838901

2,7-diamino-4-(2,4-dichlorophenyl)-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H11Cl2N3O
SMILES
C1=CC2=C(C=C1N)OC(=C(C2C3=C(C=C(C=C3)Cl)Cl)C#N)N
InChI
InChI=1S/C16H11Cl2N3O/c17-8-1-3-10(13(18)5-8)15-11-4-2-9(20)6-14(11)22-16(21)12(15)7-19/h1-6,15H,20-21H2
InChIKey
OCNISWAUBSKCDQ-UHFFFAOYSA-N
Compound name
2,7-diamino-4-(2,4-dichlorophenyl)-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

331.02792 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03520 182.8
[M+Na]+ 354.01714 196.5
[M-H]- 330.02064 188.3
[M+NH4]+ 349.06174 195.9
[M+K]+ 369.99108 187.7
[M+H-H2O]+ 314.02518 170.8
[M+HCOO]- 376.02612 192.4
[M+CH3COO]- 390.04177 192.3
[M+Na-2H]- 352.00259 184.4
[M]+ 331.02737 179.4
[M]- 331.02847 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.