CID 15954881

Schembl6814588

Structural Information

Molecular Formula
C18H21ClN4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N(C)CCO)Cl
InChI
InChI=1S/C18H21ClN4O2S/c1-12(25)20-13-3-5-14(6-4-13)21-18(26)22-15-7-8-17(16(19)11-15)23(2)9-10-24/h3-8,11,24H,9-10H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKey
DYJXJGIRBLTVQO-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-[2-hydroxyethyl(methyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

392.10736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11464 191.3
[M+Na]+ 415.09658 195.6
[M-H]- 391.10008 197.6
[M+NH4]+ 410.14118 202.7
[M+K]+ 431.07052 189.9
[M+H-H2O]+ 375.10462 183.4
[M+HCOO]- 437.10556 206.2
[M+CH3COO]- 451.12121 228.3
[M+Na-2H]- 413.08203 191.1
[M]+ 392.10681 193.9
[M]- 392.10791 193.9
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