CID 3005843

Nsc626153

Structural Information

Molecular Formula
C24H28O4Se2
SMILES
CC1=CC(=C(C(=C1)C)[Se]/C(=C(\C(=O)OC)/[Se]C2=C(C=C(C=C2C)C)C)/C(=O)OC)C
InChI
InChI=1S/C24H28O4Se2/c1-13-9-15(3)19(16(4)10-13)29-21(23(25)27-7)22(24(26)28-8)30-20-17(5)11-14(2)12-18(20)6/h9-12H,1-8H3/b22-21+
InChIKey
CTXRTQSZWDHWMW-QURGRASLSA-N
Compound name
dimethyl (E)-2,3-bis[(2,4,6-trimethylphenyl)selanyl]but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0318 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.03908 222.5
[M+Na]+ 563.02102 228.0
[M-H]- 539.02452 228.3
[M+NH4]+ 558.06562 232.6
[M+K]+ 578.99496 224.2
[M+H-H2O]+ 523.02906 213.1
[M+HCOO]- 585.03000 238.8
[M+CH3COO]- 599.04565 236.8
[M+Na-2H]- 561.00647 213.3
[M]+ 540.03125 229.2
[M]- 540.03235 229.2
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.