CID 3059617

76870-23-0

Structural Information

Molecular Formula
C23H23N3OS
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H23N3OS/c27-22(26-15-4-1-5-16-26)18-11-13-19(14-12-18)24-23(28)25-21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,1,4-5,15-16H2,(H2,24,25,28)
InChIKey
ZFMYOZYMEUHFGX-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1562 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.163476 189.1
[M+Na]+ 412.145418 191.9
[M-H]- 388.148924 196.3
[M+NH4]+ 407.190023 199.0
[M+K]+ 428.119358 184.8
[M+H-H2O]+ 372.153460 179.0
[M+HCOO]- 434.154401 201.6
[M+CH3COO]- 448.170051 196.4
[M+Na-2H]- 410.130866 191.2
[M]+ 389.15565142 184.1
[M]- 389.15674858 184.1
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

No patent data available for this compound.