CID 91895552

132377-83-4

Structural Information

Molecular Formula
C15H15N6O
SMILES
CCN1C2=CC(=NN=N)C=CC2=[N+](C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H15N6O/c1-3-21-13-9-10(18-19-16)6-7-12(13)20(2)15(22)11-5-4-8-17-14(11)21/h4-9,16H,3H2,1-2H3/q+1
InChIKey
UIZOUAPIZMQHIP-UHFFFAOYSA-N
Compound name
11-ethyl-9-(iminohydrazinylidene)-6-methylpyrido[2,3-b][1,5]benzodiazepin-6-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

216
Patents

295.13074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13802 170.4
[M+Na]+ 318.11996 181.6
[M-H]- 294.12346 177.7
[M+NH4]+ 313.16456 184.2
[M+K]+ 334.09390 176.5
[M+H-H2O]+ 278.12800 162.7
[M+HCOO]- 340.12894 195.5
[M+CH3COO]- 354.14459 210.1
[M+Na-2H]- 316.10541 183.1
[M]+ 295.13019 171.3
[M]- 295.13129 171.3
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.