CID 135429945

Nsc623999

Structural Information

Molecular Formula
C16H16N4S
SMILES
C\1C(NC2=CC=CC=C2/C1=N\NC(=S)N)C3=CC=CC=C3
InChI
InChI=1S/C16H16N4S/c17-16(21)20-19-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)15/h1-9,14,18H,10H2,(H3,17,20,21)/b19-15-
InChIKey
YDXUUFRVDDEWAP-CYVLTUHYSA-N
Compound name
[(Z)-(2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10956 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11684 163.3
[M+Na]+ 319.09878 168.6
[M-H]- 295.10228 168.1
[M+NH4]+ 314.14338 177.3
[M+K]+ 335.07272 161.7
[M+H-H2O]+ 279.10682 154.9
[M+HCOO]- 341.10776 179.4
[M+CH3COO]- 355.12341 172.9
[M+Na-2H]- 317.08423 167.8
[M]+ 296.10901 157.7
[M]- 296.11011 157.7
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.