CID 489530

5h-pyrimido[4,5-b][1,5]benzodiazepin-5-one, 6,11-dihydro-6,11-dimethyl-

Structural Information

Molecular Formula
C13H12N4O
SMILES
CN1C2=CC=CC=C2N(C(=O)C3=CN=CN=C31)C
InChI
InChI=1S/C13H12N4O/c1-16-10-5-3-4-6-11(10)17(2)13(18)9-7-14-8-15-12(9)16/h3-8H,1-2H3
InChIKey
PJAGCIQPGYIKDU-UHFFFAOYSA-N
Compound name
6,11-dimethylpyrimido[4,5-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 154.1
[M+Na]+ 263.09032 165.0
[M-H]- 239.09382 156.4
[M+NH4]+ 258.13492 168.2
[M+K]+ 279.06426 163.9
[M+H-H2O]+ 223.09836 144.5
[M+HCOO]- 285.09930 170.3
[M+CH3COO]- 299.11495 165.6
[M+Na-2H]- 261.07577 162.0
[M]+ 240.10055 152.9
[M]- 240.10165 152.9
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.