CID 3088955

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

Structural Information

Molecular Formula
C19H17N3O4
SMILES
CCN1C2C(=CNC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)C4=C(O2)C=CC(=C4)C
InChI
InChI=1S/C19H17N3O4/c1-3-21-17-14(5-4-6-15(17)22(24)25)20-10-13-18(23)12-9-11(2)7-8-16(12)26-19(13)21/h4-10,19-20H,3H2,1-2H3
InChIKey
LKVMSAZBTANVJZ-UHFFFAOYSA-N
Compound name
6-ethyl-2-methyl-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

351.12192 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 186.1
[M+Na]+ 374.11114 199.3
[M+NH4]+ 369.15574 192.5
[M+K]+ 390.08508 195.7
[M-H]- 350.11464 190.2
[M+Na-2H]- 372.09659 188.3
[M]+ 351.12137 189.1
[M]- 351.12247 189.1
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.