CID 9569902

Nsc623626

Structural Information

Molecular Formula
C23H21N3OS
SMILES
C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)NC(=S)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C23H21N3OS/c28-23(26-24-16-17-9-3-1-4-10-17)25-20-15-22(18-11-5-2-6-12-18)27-21-14-8-7-13-19(20)21/h1-14,16,20,22H,15H2,(H2,25,26,28)/b24-16+
InChIKey
SUZFIXDOJRIJQR-LFVJCYFKSA-N
Compound name
1-[(E)-benzylideneamino]-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

387.14053 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14781 189.1
[M+Na]+ 410.12975 193.2
[M-H]- 386.13325 200.0
[M+NH4]+ 405.17435 199.7
[M+K]+ 426.10369 187.4
[M+H-H2O]+ 370.13779 178.9
[M+HCOO]- 432.13873 206.9
[M+CH3COO]- 446.15438 197.9
[M+Na-2H]- 408.11520 194.4
[M]+ 387.13998 187.1
[M]- 387.14108 187.1
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.