CID 15954902

Schembl6814916

Structural Information

Molecular Formula
C19H23ClN4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCCN(C)C)Cl
InChI
InChI=1S/C19H23ClN4O2S/c1-13(25)21-14-4-6-15(7-5-14)22-19(27)23-16-8-9-18(17(20)12-16)26-11-10-24(2)3/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H2,22,23,27)
InChIKey
LNLHJZPWAHNFCD-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

406.12302 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13030 196.4
[M+Na]+ 429.11224 200.6
[M-H]- 405.11574 203.9
[M+NH4]+ 424.15684 207.9
[M+K]+ 445.08618 195.5
[M+H-H2O]+ 389.12028 187.9
[M+HCOO]- 451.12122 212.4
[M+CH3COO]- 465.13687 233.4
[M+Na-2H]- 427.09769 196.0
[M]+ 406.12247 201.2
[M]- 406.12357 201.2
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