CID 3072828

144400-96-4

Structural Information

Molecular Formula
C23H24N4O4
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)CC(=O)N3C(CC(=O)NC4=CC=CC=C43)C
InChI
InChI=1S/C23H24N4O4/c1-14-11-20(28)24-16-7-3-5-9-18(16)26(14)22(30)13-23(31)27-15(2)12-21(29)25-17-8-4-6-10-19(17)27/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKey
WFNOUKDAZDWWSU-UHFFFAOYSA-N
Compound name
1,3-bis(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17975 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18703 204.2
[M+Na]+ 443.16897 211.8
[M-H]- 419.17247 208.2
[M+NH4]+ 438.21357 209.5
[M+K]+ 459.14291 211.1
[M+H-H2O]+ 403.17701 194.9
[M+HCOO]- 465.17795 210.8
[M+CH3COO]- 479.19360 209.4
[M+Na-2H]- 441.15442 202.4
[M]+ 420.17920 197.2
[M]- 420.18030 197.2
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.