CID 5279382

Schembl642873

Structural Information

Molecular Formula
C22H24N4O2
SMILES
C1CCC(CC1)NC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H24N4O2/c27-21-20(26-22(28)23-16-11-5-2-6-12-16)25-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)24-21/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12H2,(H,24,27)(H2,23,26,28)
InChIKey
FPBCTMAZVSFZHO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

376.1899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 191.8
[M+Na]+ 399.17912 193.7
[M-H]- 375.18262 198.1
[M+NH4]+ 394.22372 199.3
[M+K]+ 415.15306 192.3
[M+H-H2O]+ 359.18716 181.0
[M+HCOO]- 421.18810 206.1
[M+CH3COO]- 435.20375 198.2
[M+Na-2H]- 397.16457 194.3
[M]+ 376.18935 181.3
[M]- 376.19045 181.3
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