CID 3005236

Nsc684972

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=S)N
InChI
InChI=1S/C14H17N3OS/c1-3-17(4-2)10-6-5-9-7-11(14(16)19)13(15)18-12(9)8-10/h5-8,15H,3-4H2,1-2H3,(H2,16,19)
InChIKey
GHTGDLQPUQIRFH-UHFFFAOYSA-N
Compound name
7-(diethylamino)-2-iminochromene-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 162.8
[M+Na]+ 298.09844 170.1
[M-H]- 274.10194 169.0
[M+NH4]+ 293.14304 179.0
[M+K]+ 314.07238 166.9
[M+H-H2O]+ 258.10648 155.4
[M+HCOO]- 320.10742 181.6
[M+CH3COO]- 334.12307 210.2
[M+Na-2H]- 296.08389 165.9
[M]+ 275.10867 164.6
[M]- 275.10977 164.6
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.