CID 467433

N-(11-ethyl-6-methyl-5-oxo-pyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide

Structural Information

Molecular Formula
C16H17N5O2
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)C)N(C(=O)C3=C1N=NC=C3)C
InChI
InChI=1S/C16H17N5O2/c1-4-21-13-6-5-11(18-10(2)22)9-14(13)20(3)16(23)12-7-8-17-19-15(12)21/h5-9H,4H2,1-3H3,(H,18,22)
InChIKey
DLXKHEZWHIJLDZ-UHFFFAOYSA-N
Compound name
N-(11-ethyl-6-methyl-5-oxopyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.1382 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 174.4
[M+Na]+ 334.12742 183.9
[M-H]- 310.13092 176.8
[M+NH4]+ 329.17202 185.6
[M+K]+ 350.10136 183.5
[M+H-H2O]+ 294.13546 164.1
[M+HCOO]- 356.13640 190.0
[M+CH3COO]- 370.15205 184.1
[M+Na-2H]- 332.11287 179.7
[M]+ 311.13765 174.0
[M]- 311.13875 174.0
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.