CID 1777592

Nsc671372

Structural Information

Molecular Formula
C27H23N3OS
SMILES
C1CCC(=O)/C(=C\2/N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)/C1
InChI
InChI=1S/C27H23N3OS/c31-24-19-11-10-18-23(24)27-30(22-16-8-3-9-17-22)25(28-20-12-4-1-5-13-20)26(32-27)29-21-14-6-2-7-15-21/h1-9,12-17H,10-11,18-19H2/b27-23-,28-25?,29-26?
InChIKey
UQFVZTVHLXGIEC-GYYLHCQHSA-N
Compound name
(2Z)-2-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1562 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16348 207.1
[M+Na]+ 460.14542 211.5
[M-H]- 436.14892 222.4
[M+NH4]+ 455.19002 216.8
[M+K]+ 476.11936 203.2
[M+H-H2O]+ 420.15346 195.1
[M+HCOO]- 482.15440 224.4
[M+CH3COO]- 496.17005 215.2
[M+Na-2H]- 458.13087 204.5
[M]+ 437.15565 201.5
[M]- 437.15675 201.5
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.