CID 1250788

2-[(4-tert-butylphenoxy)acetyl]-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O2S/c1-19(2,3)14-9-11-16(12-10-14)24-13-17(23)21-22-18(25)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,23)(H2,20,22,25)
InChIKey
MICXZTAQUDANPH-UHFFFAOYSA-N
Compound name
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1511 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 185.8
[M+Na]+ 380.14032 189.0
[M-H]- 356.14382 191.6
[M+NH4]+ 375.18492 197.8
[M+K]+ 396.11426 184.4
[M+H-H2O]+ 340.14836 177.0
[M+HCOO]- 402.14930 203.4
[M+CH3COO]- 416.16495 218.1
[M+Na-2H]- 378.12577 188.2
[M]+ 357.15055 186.2
[M]- 357.15165 186.2
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.