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]+ 308.06658 166.4
[M+Na]+ 330.04852 175.3
[M-H]- 306.05202 171.8
[M+NH4]+ 325.09312 178.1
[M+K]+ 346.02246 171.5
[M+H-H2O]+ 290.05656 162.6
[M+HCOO]- 352.05750 183.9
[M+CH3COO]- 366.07315 199.1
[M+Na-2H]- 328.03397 178.3
[M]+ 307.05875 164.3
[M]- 307.05985 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.