CID 9795650

Cr-3294

Structural Information

Molecular Formula
C14H22N4S
SMILES
CCCCCNC(=S)NC1=CC=C(C=C1)N=C(C)N
InChI
InChI=1S/C14H22N4S/c1-3-4-5-10-16-14(19)18-13-8-6-12(7-9-13)17-11(2)15/h6-9H,3-5,10H2,1-2H3,(H2,15,17)(H2,16,18,19)
InChIKey
HIIQJRQLPZAVFN-UHFFFAOYSA-N
Compound name
1-[4-(1-aminoethylideneamino)phenyl]-3-pentylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.15652 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16380 167.3
[M+Na]+ 301.14574 174.3
[M+NH4]+ 296.19034 174.2
[M+K]+ 317.11968 166.3
[M-H]- 277.14924 170.9
[M+Na-2H]- 299.13119 171.8
[M]+ 278.15597 169.3
[M]- 278.15707 169.3
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.