CID 489549

5h-pyrimido[4,5-b][1,5]benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(1-methylethyl)-2-phenyl-

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC(C)N1C2=CC=CC=C2N(C(=O)C3=CN=C(N=C31)C4=CC=CC=C4)C
InChI
InChI=1S/C21H20N4O/c1-14(2)25-18-12-8-7-11-17(18)24(3)21(26)16-13-22-19(23-20(16)25)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKey
VPWNCMZSNFQJAZ-UHFFFAOYSA-N
Compound name
6-methyl-2-phenyl-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

344.1637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17098 186.4
[M+Na]+ 367.15292 195.8
[M-H]- 343.15642 191.2
[M+NH4]+ 362.19752 196.0
[M+K]+ 383.12686 193.0
[M+H-H2O]+ 327.16096 175.1
[M+HCOO]- 389.16190 200.1
[M+CH3COO]- 403.17755 195.4
[M+Na-2H]- 365.13837 190.6
[M]+ 344.16315 184.9
[M]- 344.16425 184.9
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.