CID 15954854

Schembl6820004

Structural Information

Molecular Formula
C18H21ClN4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N(C)C)OC)Cl
InChI
InChI=1S/C18H21ClN4O2S/c1-11(24)20-12-5-7-13(8-6-12)21-18(26)22-15-9-14(19)17(25-4)10-16(15)23(2)3/h5-10H,1-4H3,(H,20,24)(H2,21,22,26)
InChIKey
HXMDKXHJBZYMGS-UHFFFAOYSA-N
Compound name
N-[4-[[5-chloro-2-(dimethylamino)-4-methoxyphenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

392.10736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11464 192.7
[M+Na]+ 415.09658 198.3
[M-H]- 391.10008 200.8
[M+NH4]+ 410.14118 205.1
[M+K]+ 431.07052 193.4
[M+H-H2O]+ 375.10462 184.6
[M+HCOO]- 437.10556 208.9
[M+CH3COO]- 451.12121 231.8
[M+Na-2H]- 413.08203 192.0
[M]+ 392.10681 197.6
[M]- 392.10791 197.6
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