CID 3088954

6,11-dihydro-2,6-dimethyl-7-nitro-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(5ah)-one

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CC1=CC2=C(C=C1)OC3C(=CNC4=C(N3C)C(=CC=C4)[N+](=O)[O-])C2=O
InChI
InChI=1S/C18H15N3O4/c1-10-6-7-15-11(8-10)17(22)12-9-19-13-4-3-5-14(21(23)24)16(13)20(2)18(12)25-15/h3-9,18-19H,1-2H3
InChIKey
LCDLLXROEWZZJF-UHFFFAOYSA-N
Compound name
2,6-dimethyl-7-nitro-5a,11-dihydrochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 181.7
[M+Na]+ 360.09548 195.1
[M+NH4]+ 355.14008 188.3
[M+K]+ 376.06942 191.8
[M-H]- 336.09898 185.9
[M+Na-2H]- 358.08093 184.1
[M]+ 337.10571 184.8
[M]- 337.10681 184.8
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.