CID 2839021

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

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N
InChI
InChI=1S/C17H15N3O2/c1-21-12-5-2-10(3-6-12)16-13-7-4-11(19)8-15(13)22-17(20)14(16)9-18/h2-8,16H,19-20H2,1H3
InChIKey
RIYZZVFPXDQDPM-UHFFFAOYSA-N
Compound name
2,7-diamino-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 174.5
[M+Na]+ 316.105638 185.5
[M-H]- 292.109144 180.5
[M+NH4]+ 311.150243 187.2
[M+K]+ 332.079578 179.7
[M+H-H2O]+ 276.113680 160.1
[M+HCOO]- 338.114621 192.5
[M+CH3COO]- 352.130271 184.3
[M+Na-2H]- 314.091086 177.8
[M]+ 293.11587142 168.7
[M]- 293.11696858 168.7
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.