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]+ 421.187026 204.2
[M+Na]+ 443.168968 211.8
[M-H]- 419.172474 208.2
[M+NH4]+ 438.213573 209.5
[M+K]+ 459.142908 211.1
[M+H-H2O]+ 403.177010 194.9
[M+HCOO]- 465.177951 210.8
[M+CH3COO]- 479.193601 209.4
[M+Na-2H]- 441.154416 202.4
[M]+ 420.17920142 197.2
[M]- 420.18029858 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.