CID 374922

Nsc653507

Structural Information

Molecular Formula
C12H14N2OSe
SMILES
CC1(C[Se]C1)N2C3=CC=CC=C3N(C2=O)C
InChI
InChI=1S/C12H14N2OSe/c1-12(7-16-8-12)14-10-6-4-3-5-9(10)13(2)11(14)15/h3-6H,7-8H2,1-2H3
InChIKey
ZOCXWHGCOHGDFJ-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylselenetan-3-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02713 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03441 156.4
[M+Na]+ 305.01635 166.3
[M-H]- 281.01985 161.9
[M+NH4]+ 300.06095 170.7
[M+K]+ 320.99029 164.9
[M+H-H2O]+ 265.02439 144.2
[M+HCOO]- 327.02533 177.1
[M+CH3COO]- 341.04098 193.6
[M+Na-2H]- 303.00180 161.0
[M]+ 282.02658 167.6
[M]- 282.02768 167.6
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.