CID 453276

133626-70-7

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CCN1C2=C(C=C(C=C2)OC)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H17N3O2/c1-4-19-13-8-7-11(21-3)10-14(13)18(2)16(20)12-6-5-9-17-15(12)19/h5-10H,4H2,1-3H3
InChIKey
QQULSLIIVMJFBM-UHFFFAOYSA-N
Compound name
11-ethyl-8-methoxy-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.2
[M+Na]+ 306.12130 175.3
[M-H]- 282.12480 168.7
[M+NH4]+ 301.16590 179.2
[M+K]+ 322.09524 174.8
[M+H-H2O]+ 266.12934 156.5
[M+HCOO]- 328.13028 181.9
[M+CH3COO]- 342.14593 176.3
[M+Na-2H]- 304.10675 171.0
[M]+ 283.13153 166.1
[M]- 283.13263 166.1
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.