CID 9574747

[(e)-[4-(diethylaminomethylamino)phenyl]methyleneamino]thiourea

Structural Information

Molecular Formula
C13H21N5S
SMILES
CCN(CC)CNC1=CC=C(C=C1)/C=N/NC(=S)N
InChI
InChI=1S/C13H21N5S/c1-3-18(4-2)10-15-12-7-5-11(6-8-12)9-16-17-13(14)19/h5-9,15H,3-4,10H2,1-2H3,(H3,14,17,19)/b16-9+
InChIKey
XXJJEAIVVVUSAN-CXUHLZMHSA-N
Compound name
[(E)-[4-(diethylaminomethylamino)phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.15176 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15904 164.7
[M+Na]+ 302.14098 168.0
[M-H]- 278.14448 169.7
[M+NH4]+ 297.18558 180.5
[M+K]+ 318.11492 164.9
[M+H-H2O]+ 262.14902 155.5
[M+HCOO]- 324.14996 187.7
[M+CH3COO]- 338.16561 216.5
[M+Na-2H]- 300.12643 166.7
[M]+ 279.15121 164.4
[M]- 279.15231 164.4
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.