CID 453281

133626-75-2

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H14N4O3/c1-3-18-12-7-6-10(19(21)22)9-13(12)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChIKey
BBJBXDHNIWTOOR-UHFFFAOYSA-N
Compound name
11-ethyl-6-methyl-8-nitropyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 168.4
[M+Na]+ 321.09582 177.0
[M-H]- 297.09932 172.1
[M+NH4]+ 316.14042 180.7
[M+K]+ 337.06976 173.3
[M+H-H2O]+ 281.10386 163.6
[M+HCOO]- 343.10480 186.1
[M+CH3COO]- 357.12045 202.1
[M+Na-2H]- 319.08127 176.4
[M]+ 298.10605 166.3
[M]- 298.10715 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.