CID 9574741

[(e)-[3-(4-butylphenyl)-2-methyl-propylidene]amino]thiourea

Structural Information

Molecular Formula
C15H23N3S
SMILES
CCCCC1=CC=C(C=C1)CC(C)/C=N/NC(=S)N
InChI
InChI=1S/C15H23N3S/c1-3-4-5-13-6-8-14(9-7-13)10-12(2)11-17-18-15(16)19/h6-9,11-12H,3-5,10H2,1-2H3,(H3,16,18,19)/b17-11+
InChIKey
JTZXNAIDEOYDKE-GZTJUZNOSA-N
Compound name
[(E)-[3-(4-butylphenyl)-2-methylpropylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.16125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16853 167.6
[M+Na]+ 300.15047 171.4
[M-H]- 276.15397 171.1
[M+NH4]+ 295.19507 183.6
[M+K]+ 316.12441 166.9
[M+H-H2O]+ 260.15851 159.4
[M+HCOO]- 322.15945 186.7
[M+CH3COO]- 336.17510 209.7
[M+Na-2H]- 298.13592 167.0
[M]+ 277.16070 167.8
[M]- 277.16180 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.