CID 2839420

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

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Cl
InChI
InChI=1S/C16H12ClN3O/c17-13-4-2-1-3-10(13)15-11-6-5-9(19)7-14(11)21-16(20)12(15)8-18/h1-7,15H,19-20H2
InChIKey
KBIBJHDUEVADKZ-UHFFFAOYSA-N
Compound name
2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.0669 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07418 175.7
[M+Na]+ 320.05612 188.3
[M-H]- 296.05962 181.7
[M+NH4]+ 315.10072 189.3
[M+K]+ 336.03006 180.3
[M+H-H2O]+ 280.06416 162.6
[M+HCOO]- 342.06510 189.8
[M+CH3COO]- 356.08075 185.7
[M+Na-2H]- 318.04157 178.8
[M]+ 297.06635 170.6
[M]- 297.06745 170.6
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.