CID 135568461

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

Structural Information

Molecular Formula
C16H9N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)NC4=C(C=C(C=C4)[N+](=O)[O-])N=C3
InChI
InChI=1S/C16H9N3O4/c20-15-10-3-1-2-4-14(10)23-16-11(15)8-17-13-7-9(19(21)22)5-6-12(13)18-16/h1-8,18H
InChIKey
XECHJQXEOSBYRO-UHFFFAOYSA-N
Compound name
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

307.0593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.066576 166.4
[M+Na]+ 330.048518 175.3
[M-H]- 306.052024 171.8
[M+NH4]+ 325.093123 178.1
[M+K]+ 346.022458 171.5
[M+H-H2O]+ 290.056560 162.6
[M+HCOO]- 352.057501 183.9
[M+CH3COO]- 366.073151 199.1
[M+Na-2H]- 328.033966 178.3
[M]+ 307.05875142 164.3
[M]- 307.05984858 164.3
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.