CID 3058279

74859-39-5

Structural Information

Molecular Formula
C20H20Cl2N4O3
SMILES
CC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Cl)C(=N1)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C20H20Cl2N4O3/c1-11-19(28)26(2)15-8-7-14(25-20(29)23-9-10-27)17(22)16(15)18(24-11)12-5-3-4-6-13(12)21/h3-8,11,27H,9-10H2,1-2H3,(H2,23,25,29)
InChIKey
SFJNDPGNOSODSN-UHFFFAOYSA-N
Compound name
1-[6-chloro-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

434.09125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09853 201.0
[M+Na]+ 457.08047 210.9
[M-H]- 433.08397 205.8
[M+NH4]+ 452.12507 210.0
[M+K]+ 473.05441 209.9
[M+H-H2O]+ 417.08851 191.8
[M+HCOO]- 479.08945 210.4
[M+CH3COO]- 493.10510 230.3
[M+Na-2H]- 455.06592 201.5
[M]+ 434.09070 202.7
[M]- 434.09180 202.7
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

patents stripe