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]+ 241.108376 154.1
[M+Na]+ 263.090318 165.0
[M-H]- 239.093824 156.4
[M+NH4]+ 258.134923 168.2
[M+K]+ 279.064258 163.9
[M+H-H2O]+ 223.098360 144.5
[M+HCOO]- 285.099301 170.3
[M+CH3COO]- 299.114951 165.6
[M+Na-2H]- 261.075766 162.0
[M]+ 240.10055142 152.9
[M]- 240.10164858 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.