CID 9574717

[(z)-[4-[(z)-nonylideneamino]phenyl]methyleneamino]thiourea

Structural Information

Molecular Formula
C17H26N4S
SMILES
CCCCCCCCC=NC1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C17H26N4S/c1-2-3-4-5-6-7-8-13-19-16-11-9-15(10-12-16)14-20-21-17(18)22/h9-14H,2-8H2,1H3,(H3,18,21,22)/b19-13?,20-14-
InChIKey
XWXSZOOJALITGB-YERZVVDKSA-N
Compound name
[(Z)-[4-(nonylideneamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19508 177.3
[M+Na]+ 341.17702 180.4
[M-H]- 317.18052 181.7
[M+NH4]+ 336.22162 192.1
[M+K]+ 357.15096 175.2
[M+H-H2O]+ 301.18506 168.0
[M+HCOO]- 363.18600 199.4
[M+CH3COO]- 377.20165 220.9
[M+Na-2H]- 339.16247 178.0
[M]+ 318.18725 179.1
[M]- 318.18835 179.1
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.