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]+ 390.16348 189.1
[M+Na]+ 412.14542 191.9
[M-H]- 388.14892 196.3
[M+NH4]+ 407.19002 199.0
[M+K]+ 428.11936 184.8
[M+H-H2O]+ 372.15346 179.0
[M+HCOO]- 434.15440 201.6
[M+CH3COO]- 448.17005 196.4
[M+Na-2H]- 410.13087 191.2
[M]+ 389.15565 184.1
[M]- 389.15675 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.