CID 15954714

Schembl6819650

Structural Information

Molecular Formula
C24H25ClN4O3S
SMILES
CN(C)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl
InChI
InChI=1S/C24H25ClN4O3S/c1-29(2)18-7-5-6-15(12-18)23(30)26-16-8-10-17(11-9-16)27-24(33)28-20-13-19(25)21(31-3)14-22(20)32-4/h5-14H,1-4H3,(H,26,30)(H2,27,28,33)
InChIKey
HXFUYPSLRRCWDE-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-3-(dimethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

484.13358 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.14086 215.8
[M+Na]+ 507.12280 220.5
[M-H]- 483.12630 226.5
[M+NH4]+ 502.16740 224.0
[M+K]+ 523.09674 215.3
[M+H-H2O]+ 467.13084 206.0
[M+HCOO]- 529.13178 231.7
[M+CH3COO]- 543.14743 248.7
[M+Na-2H]- 505.10825 214.9
[M]+ 484.13303 222.2
[M]- 484.13413 222.2
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

patents stripe