CID 9566474

Nsc209944

Structural Information

Molecular Formula
C18H13Cl2N3S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=S)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C18H13Cl2N3S/c19-15-9-4-10-16(20)17(15)22-18(24)23-21-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H2,22,23,24)/b21-11+
InChIKey
GHRXVIPWGQAFPJ-SRZZPIQSSA-N
Compound name
1-(2,6-dichlorophenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.02072 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.02800 182.3
[M+Na]+ 396.00994 191.0
[M-H]- 372.01344 190.3
[M+NH4]+ 391.05454 197.4
[M+K]+ 411.98388 182.3
[M+H-H2O]+ 356.01798 175.8
[M+HCOO]- 418.01892 194.3
[M+CH3COO]- 432.03457 192.6
[M+Na-2H]- 393.99539 186.4
[M]+ 373.02017 186.4
[M]- 373.02127 186.4
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.