CID 135568459

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

Structural Information

Molecular Formula
C16H8ClN3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=CC3=C(N2)OC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C16H8ClN3O4/c17-8-1-4-14-10(5-8)15(21)11-7-18-13-6-9(20(22)23)2-3-12(13)19-16(11)24-14/h1-7,19H
InChIKey
LGLVGWVASJTTGO-UHFFFAOYSA-N
Compound name
2-chloro-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

341.02032 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.02760 173.3
[M+Na]+ 364.00954 184.0
[M-H]- 340.01304 178.4
[M+NH4]+ 359.05414 184.9
[M+K]+ 379.98348 179.6
[M+H-H2O]+ 324.01758 169.7
[M+HCOO]- 386.01852 186.5
[M+CH3COO]- 400.03417 203.7
[M+Na-2H]- 361.99499 184.1
[M]+ 341.01977 173.7
[M]- 341.02087 173.7
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.