CID 3004030

Nsc623624

Structural Information

Molecular Formula
C16H17N3OS
SMILES
C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)NC(=S)NN
InChI
InChI=1S/C16H17N3OS/c17-19-16(21)18-13-10-15(11-6-2-1-3-7-11)20-14-9-5-4-8-12(13)14/h1-9,13,15H,10,17H2,(H2,18,19,21)
InChIKey
HBYNGXQIJVFGBA-UHFFFAOYSA-N
Compound name
1-amino-3-(2-phenyl-3,4-dihydro-2H-chromen-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 164.9
[M+Na]+ 322.09844 170.0
[M-H]- 298.10194 171.8
[M+NH4]+ 317.14304 178.9
[M+K]+ 338.07238 165.4
[M+H-H2O]+ 282.10648 157.0
[M+HCOO]- 344.10742 181.5
[M+CH3COO]- 358.12307 175.0
[M+Na-2H]- 320.08389 169.9
[M]+ 299.10867 161.4
[M]- 299.10977 161.4
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.