CID 9574732

[(e)-[(2z)-2-benzylideneheptylidene]amino]thiourea

Structural Information

Molecular Formula
C15H21N3S
SMILES
CCCCC/C(=C/C1=CC=CC=C1)/C=N/NC(=S)N
InChI
InChI=1S/C15H21N3S/c1-2-3-5-10-14(12-17-18-15(16)19)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3,(H3,16,18,19)/b14-11-,17-12+
InChIKey
PEGXVNOTQDSIGE-HLXKFHDQSA-N
Compound name
[(E)-[(2Z)-2-benzylideneheptylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.14563 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 166.8
[M+Na]+ 298.13485 170.1
[M-H]- 274.13835 170.0
[M+NH4]+ 293.17945 182.6
[M+K]+ 314.10879 165.0
[M+H-H2O]+ 258.14289 158.6
[M+HCOO]- 320.14383 186.2
[M+CH3COO]- 334.15948 207.0
[M+Na-2H]- 296.12030 167.0
[M]+ 275.14508 165.9
[M]- 275.14618 165.9
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.