CID 6452106

4808-24-6

Structural Information

Molecular Formula
C15H15AsN2S2
SMILES
CN(C)C(=S)S[As]1C2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C15H15AsN2S2/c1-18(2)15(19)20-16-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10,17H,1-2H3
InChIKey
PXCMIIWXDOIGLN-UHFFFAOYSA-N
Compound name
5H-phenarsazinin-10-yl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.98926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99654 171.2
[M+Na]+ 384.97848 178.0
[M-H]- 360.98198 173.6
[M+NH4]+ 380.02308 187.1
[M+K]+ 400.95242 171.3
[M+H-H2O]+ 344.98652 164.1
[M+HCOO]- 406.98746 178.3
[M+CH3COO]- 421.00311 180.4
[M+Na-2H]- 382.96393 173.8
[M]+ 361.98871 171.8
[M]- 361.98981 171.8
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.