CID 453266

133626-61-6

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CN(C)C(=O)CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C16H16N4O2/c1-19(2)14(21)10-20-13-8-4-3-7-12(13)18-15-11(16(20)22)6-5-9-17-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
AIIHMJGXEGXMJG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.12732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 166.9
[M+Na]+ 319.11654 174.3
[M-H]- 295.12004 170.0
[M+NH4]+ 314.16114 179.4
[M+K]+ 335.09048 174.6
[M+H-H2O]+ 279.12458 157.8
[M+HCOO]- 341.12552 183.0
[M+CH3COO]- 355.14117 176.9
[M+Na-2H]- 317.10199 172.8
[M]+ 296.12677 164.8
[M]- 296.12787 164.8
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.