CID 3033136

1-naphthaleneacetic acid, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C21H21N3OS
SMILES
CC1=CC(=C(C=C1)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C21H21N3OS/c1-14-10-11-19(15(2)12-14)22-21(26)24-23-20(25)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKey
QFIVNADDYPJUCI-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14053 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14781 185.7
[M+Na]+ 386.12975 197.8
[M+NH4]+ 381.17435 193.9
[M+K]+ 402.10369 187.6
[M-H]- 362.13325 192.3
[M+Na-2H]- 384.11520 193.8
[M]+ 363.13998 189.7
[M]- 363.14108 189.7
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

No patent data available for this compound.