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]+ 311.150246 173.2
[M+Na]+ 333.132188 182.2
[M-H]- 309.135694 176.7
[M+NH4]+ 328.176793 185.8
[M+K]+ 349.106128 181.9
[M+H-H2O]+ 293.140230 164.1
[M+HCOO]- 355.141171 189.8
[M+CH3COO]- 369.156821 183.4
[M+Na-2H]- 331.117636 178.1
[M]+ 310.14242142 172.7
[M]- 310.14351858 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.