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]+ 338.113536 177.9
[M+Na]+ 360.095478 185.7
[M-H]- 336.098984 182.9
[M+NH4]+ 355.140083 188.8
[M+K]+ 376.069418 181.9
[M+H-H2O]+ 320.103520 174.0
[M+HCOO]- 382.104461 191.9
[M+CH3COO]- 396.120111 207.6
[M+Na-2H]- 358.080926 185.7
[M]+ 337.10571142 174.5
[M]- 337.10680858 174.5
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.