CID 9795650

Cr3294

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

70
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 166.4
[M+Na]+ 301.14574 169.8
[M-H]- 277.14924 170.0
[M+NH4]+ 296.19034 182.0
[M+K]+ 317.11968 165.6
[M+H-H2O]+ 261.15378 157.9
[M+HCOO]- 323.15472 186.8
[M+CH3COO]- 337.17037 211.2
[M+Na-2H]- 299.13119 166.9
[M]+ 278.15597 165.4
[M]- 278.15707 165.4
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.