CID 135568460

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

Structural Information

Molecular Formula
C17H11N3O4
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=C(N3)C=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H11N3O4/c1-9-2-5-15-11(6-9)16(21)12-8-18-14-7-10(20(22)23)3-4-13(14)19-17(12)24-15/h2-8,19H,1H3
InChIKey
YBXTUTDIRKZTQD-UHFFFAOYSA-N
Compound name
2-methyl-9-nitro-6H-chromeno[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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08223 172.0
[M+Na]+ 344.06417 181.2
[M-H]- 320.06767 177.6
[M+NH4]+ 339.10877 183.5
[M+K]+ 360.03811 177.5
[M+H-H2O]+ 304.07221 168.2
[M+HCOO]- 366.07315 189.1
[M+CH3COO]- 380.08880 203.1
[M+Na-2H]- 342.04962 182.7
[M]+ 321.07440 170.5
[M]- 321.07550 170.5
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.