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

17
Patents

342.10043 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.107706 182.7
[M+Na]+ 365.089648 195.7
[M-H]- 341.093154 190.9
[M+NH4]+ 360.134253 194.7
[M+K]+ 381.063588 187.9
[M+H-H2O]+ 325.097690 168.6
[M+HCOO]- 387.098631 196.4
[M+CH3COO]- 401.114281 192.4
[M+Na-2H]- 363.075096 187.1
[M]+ 342.09988142 179.2
[M]- 342.10097858 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