CID 3087614

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

Structural Information

Molecular Formula
C17H11N3O4
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H11N3O4/c1-19-14-7-6-10(20(22)23)8-13(14)18-9-12-16(21)11-4-2-3-5-15(11)24-17(12)19/h2-9H,1H3
InChIKey
LQFKDDPZRVMWFA-UHFFFAOYSA-N
Compound name
6-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07495 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08223 175.4
[M+Na]+ 344.06417 190.8
[M+NH4]+ 339.10877 182.5
[M+K]+ 360.03811 186.8
[M-H]- 320.06767 180.4
[M+Na-2H]- 342.04962 180.4
[M]+ 321.07440 179.1
[M]- 321.07550 179.1
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.