CID 15954843

Schembl6814763

Structural Information

Molecular Formula
C19H21ClN4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl
InChI
InChI=1S/C19H21ClN4O2S/c1-13(25)21-14-2-4-15(5-3-14)22-19(27)23-16-6-7-18(17(20)12-16)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3,(H,21,25)(H2,22,23,27)
InChIKey
YAELWEDKNWTUBI-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

404.10736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11464 194.4
[M+Na]+ 427.09658 198.2
[M-H]- 403.10008 202.3
[M+NH4]+ 422.14118 202.5
[M+K]+ 443.07052 192.6
[M+H-H2O]+ 387.10462 185.2
[M+HCOO]- 449.10556 204.2
[M+CH3COO]- 463.12121 225.1
[M+Na-2H]- 425.08203 194.9
[M]+ 404.10681 193.2
[M]- 404.10791 193.2
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