CID 9635473

387361-60-6

Structural Information

Molecular Formula
C17H14N2S2
SMILES
CSC(=S)N/N=C/C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI
InChI=1S/C17H14N2S2/c1-21-17(20)19-18-11-12-6-7-15-9-13-4-2-3-5-14(13)10-16(15)8-12/h2-11H,1H3,(H,19,20)/b18-11+
InChIKey
FGPVCCRUCXLQHK-WOJGMQOQSA-N
Compound name
methyl N-[(E)-anthracen-2-ylmethylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.05984 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06712 163.7
[M+Na]+ 333.04906 172.9
[M-H]- 309.05256 169.9
[M+NH4]+ 328.09366 181.7
[M+K]+ 349.02300 165.4
[M+H-H2O]+ 293.05710 156.8
[M+HCOO]- 355.05804 178.7
[M+CH3COO]- 369.07369 175.3
[M+Na-2H]- 331.03451 170.4
[M]+ 310.05929 167.7
[M]- 310.06039 167.7
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.