CID 453283

133626-76-3

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CCN1C2=C(C=CC(=C2)NC(=O)C)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C17H18N4O2/c1-4-21-15-10-12(19-11(2)22)7-8-14(15)20(3)17(23)13-6-5-9-18-16(13)21/h5-10H,4H2,1-3H3,(H,19,22)
InChIKey
FVGOWERAAKTYDD-UHFFFAOYSA-N
Compound name
N-(11-ethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 173.2
[M+Na]+ 333.13219 182.2
[M-H]- 309.13569 176.7
[M+NH4]+ 328.17679 185.8
[M+K]+ 349.10613 181.9
[M+H-H2O]+ 293.14023 164.1
[M+HCOO]- 355.14117 189.8
[M+CH3COO]- 369.15682 183.4
[M+Na-2H]- 331.11764 178.1
[M]+ 310.14242 172.7
[M]- 310.14352 172.7
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.