CID 3072831

144401-04-7

Structural Information

Molecular Formula
C22H22N4O4
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)C(=O)N3C(CC(=O)NC4=CC=CC=C43)C
InChI
InChI=1S/C22H22N4O4/c1-13-11-19(27)23-15-7-3-5-9-17(15)25(13)21(29)22(30)26-14(2)12-20(28)24-16-8-4-6-10-18(16)26/h3-10,13-14H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
OHQOVEOWZFHUTR-UHFFFAOYSA-N
Compound name
1,2-bis(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 200.9
[M+Na]+ 429.15332 208.9
[M-H]- 405.15682 205.1
[M+NH4]+ 424.19792 206.8
[M+K]+ 445.12726 208.4
[M+H-H2O]+ 389.16136 191.8
[M+HCOO]- 451.16230 207.8
[M+CH3COO]- 465.17795 206.5
[M+Na-2H]- 427.13877 199.5
[M]+ 406.16355 193.6
[M]- 406.16465 193.6
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.