CID 15954860

Schembl6815774

Structural Information

Molecular Formula
C19H21ClN4OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl
InChI
InChI=1S/C19H21ClN4OS/c1-13(25)21-14-4-6-15(7-5-14)22-19(26)23-16-8-9-18(17(20)12-16)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H2,22,23,26)
InChIKey
YCFQZWRRWDAHDV-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

388.11246 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11974 191.4
[M+Na]+ 411.10168 196.3
[M-H]- 387.10518 199.5
[M+NH4]+ 406.14628 203.7
[M+K]+ 427.07562 189.2
[M+H-H2O]+ 371.10972 183.1
[M+HCOO]- 433.11066 204.2
[M+CH3COO]- 447.12631 221.9
[M+Na-2H]- 409.08713 189.6
[M]+ 388.11191 190.7
[M]- 388.11301 190.7
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