CID 15954892

Schembl6815948

Structural Information

Molecular Formula
C19H24ClN5OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NCCN(C)C)Cl
InChI
InChI=1S/C19H24ClN5OS/c1-13(26)22-14-4-6-15(7-5-14)23-19(27)24-16-8-9-18(17(20)12-16)21-10-11-25(2)3/h4-9,12,21H,10-11H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKey
FIHKXDPQXUEFBO-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

405.139 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14628 197.0
[M+Na]+ 428.12822 200.6
[M-H]- 404.13172 204.3
[M+NH4]+ 423.17282 208.2
[M+K]+ 444.10216 194.9
[M+H-H2O]+ 388.13626 188.3
[M+HCOO]- 450.13720 213.6
[M+CH3COO]- 464.15285 236.5
[M+Na-2H]- 426.11367 197.0
[M]+ 405.13845 199.7
[M]- 405.13955 199.7
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