CID 368658

Nsc639775

Structural Information

Molecular Formula
C22H28N2O2Se2
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1[Se][Se]C2=CC=CC=C2C(=O)NC(C)(C)C
InChI
InChI=1S/C22H28N2O2Se2/c1-21(2,3)23-19(25)15-11-7-9-13-17(15)27-28-18-14-10-8-12-16(18)20(26)24-22(4,5)6/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKey
QGXMQAIPXJETBV-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[[2-(tert-butylcarbamoyl)phenyl]diselanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

512.0481 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.05538 220.3
[M+Na]+ 535.03732 222.5
[M-H]- 511.04082 225.2
[M+NH4]+ 530.08192 230.3
[M+K]+ 551.01126 218.2
[M+H-H2O]+ 495.04536 210.7
[M+HCOO]- 557.04630 237.5
[M+CH3COO]- 571.06195 231.1
[M+Na-2H]- 533.02277 219.6
[M]+ 512.04755 221.1
[M]- 512.04865 221.1
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