CID 3075674

195370-37-7

Structural Information

Molecular Formula
C15H15ClN4O2S
SMILES
COC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C15H15ClN4O2S/c1-22-11-5-3-10(4-6-11)18-13-8-9(16)2-7-12(13)14(21)19-20-15(17)23/h2-8,18H,1H3,(H,19,21)(H3,17,20,23)
InChIKey
WIWBRZMJQPRVLS-UHFFFAOYSA-N
Compound name
[[4-chloro-2-(4-methoxyanilino)benzoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.06042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06770 178.3
[M+Na]+ 373.04964 184.3
[M-H]- 349.05314 184.6
[M+NH4]+ 368.09424 191.2
[M+K]+ 389.02358 178.2
[M+H-H2O]+ 333.05768 170.8
[M+HCOO]- 395.05862 194.5
[M+CH3COO]- 409.07427 218.1
[M+Na-2H]- 371.03509 179.5
[M]+ 350.05987 179.4
[M]- 350.06097 179.4
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.