CID 3087619

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 2,6-dimethyl-9-nitro-

Structural Information

Molecular Formula
C18H13N3O4
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=C(N3C)C=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O4/c1-10-3-6-16-12(7-10)17(22)13-9-19-14-8-11(21(23)24)4-5-15(14)20(2)18(13)25-16/h3-9H,1-2H3
InChIKey
VRUGDXJWCHBSPO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09788 180.4
[M+Na]+ 358.07982 196.0
[M+NH4]+ 353.12442 187.4
[M+K]+ 374.05376 191.9
[M-H]- 334.08332 185.5
[M+Na-2H]- 356.06527 184.9
[M]+ 335.09005 184.2
[M]- 335.09115 184.2
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

No patent data available for this compound.