CID 3115885

3-amino-1-(3-nitrophenyl)-1h-benzo[f]chromene-2-carbonitrile

Structural Information

Molecular Formula
C20H13N3O3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H13N3O3/c21-11-16-18(13-5-3-6-14(10-13)23(24)25)19-15-7-2-1-4-12(15)8-9-17(19)26-20(16)22/h1-10,18H,22H2
InChIKey
PYIXQVYMJDILFL-UHFFFAOYSA-N
Compound name
3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0957 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10298 189.7
[M+Na]+ 366.08492 199.5
[M-H]- 342.08842 195.8
[M+NH4]+ 361.12952 200.3
[M+K]+ 382.05886 187.7
[M+H-H2O]+ 326.09296 178.2
[M+HCOO]- 388.09390 206.2
[M+CH3COO]- 402.10955 220.2
[M+Na-2H]- 364.07037 195.2
[M]+ 343.09515 182.4
[M]- 343.09625 182.4
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.