CID 9591719

302822-68-0

Structural Information

Molecular Formula
C18H13Cl2N3OS
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3OS/c19-12-6-8-16(20)15(10-12)17-9-7-14(24-17)11-21-23-18(25)22-13-4-2-1-3-5-13/h1-11H,(H2,22,23,25)/b21-11+
InChIKey
KMAZSXUSFKKTJV-SRZZPIQSSA-N
Compound name
1-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.01562 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.02290 193.5
[M+Na]+ 412.00484 202.3
[M-H]- 388.00834 205.0
[M+NH4]+ 407.04944 207.3
[M+K]+ 427.97878 195.1
[M+H-H2O]+ 372.01288 186.4
[M+HCOO]- 434.01382 207.1
[M+CH3COO]- 448.02947 204.1
[M+Na-2H]- 409.99029 194.3
[M]+ 389.01507 198.9
[M]- 389.01617 198.9
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.