CID 489532

5h-pyrimido[4,5-b][1,5]benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(1-methylethyl)-

Structural Information

Molecular Formula
C15H16N4O
SMILES
CC(C)N1C2=CC=CC=C2N(C(=O)C3=CN=CN=C31)C
InChI
InChI=1S/C15H16N4O/c1-10(2)19-13-7-5-4-6-12(13)18(3)15(20)11-8-16-9-17-14(11)19/h4-10H,1-3H3
InChIKey
SRFNGXHEQNLPIO-UHFFFAOYSA-N
Compound name
6-methyl-11-propan-2-ylpyrimido[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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 161.9
[M+Na]+ 291.12164 171.7
[M-H]- 267.12514 163.9
[M+NH4]+ 286.16624 174.9
[M+K]+ 307.09558 170.7
[M+H-H2O]+ 251.12968 152.1
[M+HCOO]- 313.13062 176.5
[M+CH3COO]- 327.14627 172.4
[M+Na-2H]- 289.10709 167.9
[M]+ 268.13187 160.8
[M]- 268.13297 160.8
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.