CID 3074227

155622-15-4

Structural Information

Molecular Formula
C19H25BrN2O3S2
SMILES
C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C19H25BrN2O3S2/c20-16-3-1-15(2-4-16)19-8-13-5-14(9-19)7-18(6-13,11-19)12-22-17(21)10-26-27(23,24)25/h1-4,13-14H,5-12H2,(H2,21,22)(H,23,24,25)
InChIKey
HNOGSWOJWKMFRG-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-bromophenyl)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.05628 174.3
[M+Na]+ 495.03822 171.6
[M+NH4]+ 490.08282 181.8
[M+K]+ 511.01216 166.5
[M-H]- 471.04172 171.5
[M+Na-2H]- 493.02367 173.6
[M]+ 472.04845 172.9
[M]- 472.04955 172.9
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.