CID 2768486

149550-67-4

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3C4=C(C5=CC=CC=C5C=C4)OC(=C3C#N)N
InChI
InChI=1S/C21H14N2O3/c22-10-16-19(13-6-8-17-18(9-13)25-11-24-17)15-7-5-12-3-1-2-4-14(12)20(15)26-21(16)23/h1-9,19H,11,23H2
InChIKey
QEEUJPYNXNOABM-UHFFFAOYSA-N
Compound name
2-amino-4-(1,3-benzodioxol-5-yl)-4H-benzo[h]chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

342.10043 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10771 182.7
[M+Na]+ 365.08965 195.7
[M-H]- 341.09315 190.9
[M+NH4]+ 360.13425 194.7
[M+K]+ 381.06359 187.9
[M+H-H2O]+ 325.09769 168.6
[M+HCOO]- 387.09863 196.4
[M+CH3COO]- 401.11428 192.4
[M+Na-2H]- 363.07510 187.1
[M]+ 342.09988 179.2
[M]- 342.10098 179.2
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

patents stripe