CID 5357377

Nsc76186

Structural Information

Molecular Formula
C13H17N3S
SMILES
CCC1=CC=C(C=C1)/C(=N\NC(=S)N)/C2CC2
InChI
InChI=1S/C13H17N3S/c1-2-9-3-5-10(6-4-9)12(11-7-8-11)15-16-13(14)17/h3-6,11H,2,7-8H2,1H3,(H3,14,16,17)/b15-12+
InChIKey
JUAXBUNPKHPHHJ-NTCAYCPXSA-N
Compound name
[(Z)-[cyclopropyl-(4-ethylphenyl)methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.11432 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12160 147.9
[M+Na]+ 270.10354 154.5
[M-H]- 246.10704 155.8
[M+NH4]+ 265.14814 160.5
[M+K]+ 286.07748 149.6
[M+H-H2O]+ 230.11158 140.3
[M+HCOO]- 292.11252 168.8
[M+CH3COO]- 306.12817 204.4
[M+Na-2H]- 268.08899 150.0
[M]+ 247.11377 148.9
[M]- 247.11487 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.