CID 9556175

Nsc671406

Structural Information

Molecular Formula
C36H25N5S
SMILES
C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)/N=C/C5=C6C=CC=CC6=CC7=CC=CC=C75
InChI
InChI=1S/C36H25N5S/c42-36-40(30-20-8-3-9-21-30)34(38-28-16-4-1-5-17-28)35(39-29-18-6-2-7-19-29)41(36)37-25-33-31-22-12-10-14-26(31)24-27-15-11-13-23-32(27)33/h1-25H/b37-25+,38-34?,39-35?
InChIKey
LQKXGPXTSANBOI-MXJWHCOYSA-N
Compound name
1-[(E)-anthracen-9-ylmethylideneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.18304 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.19032 237.0
[M+Na]+ 582.17226 244.9
[M-H]- 558.17576 253.8
[M+NH4]+ 577.21686 242.5
[M+K]+ 598.14620 233.6
[M+H-H2O]+ 542.18030 222.2
[M+HCOO]- 604.18124 256.0
[M+CH3COO]- 618.19689 243.8
[M+Na-2H]- 580.15771 239.4
[M]+ 559.18249 237.6
[M]- 559.18359 237.6
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.