CID 385095

Nsc676030

Structural Information

Molecular Formula
C16H16N6Se2
SMILES
CN(C)C1=CC=C(C2=N[Se]N=C12)C3=CC=C(C4=N[Se]N=C34)N(C)C
InChI
InChI=1S/C16H16N6Se2/c1-21(2)11-7-5-9(13-15(11)19-23-17-13)10-6-8-12(22(3)4)16-14(10)18-24-20-16/h5-8H,1-4H3
InChIKey
FDAJYKOMUMEFHC-UHFFFAOYSA-N
Compound name
7-[4-(dimethylamino)-2,1,3-benzoselenadiazol-7-yl]-N,N-dimethyl-2,1,3-benzoselenadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.97668 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.98396 198.7
[M+Na]+ 474.96590 208.9
[M-H]- 450.96940 205.8
[M+NH4]+ 470.01050 213.0
[M+K]+ 490.93984 204.1
[M+H-H2O]+ 434.97394 186.9
[M+HCOO]- 496.97488 221.9
[M+CH3COO]- 510.99053 209.3
[M+Na-2H]- 472.95135 201.1
[M]+ 451.97613 205.8
[M]- 451.97723 205.8
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.