CID 5272992

1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea

Structural Information

Molecular Formula
C20H26N4O2Se2
SMILES
CCCNC(=O)NC1=CC=CC=C1[Se][Se]C2=CC=CC=C2NC(=O)NCCC
InChI
InChI=1S/C20H26N4O2Se2/c1-3-13-21-19(25)23-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)24-20(26)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKey
MYWLHZCLZMKNAR-UHFFFAOYSA-N
Compound name
1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

514.03864 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.04592 218.5
[M+Na]+ 537.02786 218.9
[M-H]- 513.03136 222.9
[M+NH4]+ 532.07246 227.3
[M+K]+ 553.00180 214.1
[M+H-H2O]+ 497.03590 206.9
[M+HCOO]- 559.03684 241.6
[M+CH3COO]- 573.05249 234.9
[M+Na-2H]- 535.01331 217.8
[M]+ 514.03809 218.0
[M]- 514.03919 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.