CID 3034571

Carbonothioic dihydrazide, di-2(1h)-naphthalenylidene-

Structural Information

Molecular Formula
C21H18N4S
SMILES
C1C(=NNC(=S)NN=C2CC3=CC=CC=C3C=C2)C=CC4=CC=CC=C41
InChI
InChI=1S/C21H18N4S/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-12H,13-14H2,(H2,24,25,26)
InChIKey
NVRNVDLEMWZIJG-UHFFFAOYSA-N
Compound name
1,3-bis(1H-naphthalen-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

0
Patents

358.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13248 175.8
[M+Na]+ 381.11442 180.5
[M-H]- 357.11792 185.0
[M+NH4]+ 376.15902 190.5
[M+K]+ 397.08836 173.9
[M+H-H2O]+ 341.12246 166.2
[M+HCOO]- 403.12340 195.9
[M+CH3COO]- 417.13905 185.5
[M+Na-2H]- 379.09987 183.7
[M]+ 358.12465 173.2
[M]- 358.12575 173.2
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.