CID 489537

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

Structural Information

Molecular Formula
C15H16N4O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=CN=CN=C31)CC
InChI
InChI=1S/C15H16N4O/c1-3-18-12-7-5-6-8-13(12)19(4-2)15(20)11-9-16-10-17-14(11)18/h5-10H,3-4H2,1-2H3
InChIKey
OUUPASXSYAEKHQ-UHFFFAOYSA-N
Compound name
6,11-diethylpyrimido[4,5-b][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.13242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 162.9
[M+Na]+ 291.12164 172.9
[M-H]- 267.12514 164.7
[M+NH4]+ 286.16624 175.9
[M+K]+ 307.09558 171.4
[M+H-H2O]+ 251.12968 152.8
[M+HCOO]- 313.13062 178.4
[M+CH3COO]- 327.14627 173.4
[M+Na-2H]- 289.10709 169.7
[M]+ 268.13187 162.3
[M]- 268.13297 162.3
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.