CID 118387

33034-18-3

Structural Information

Molecular Formula
C25H22NS
SMILES
C[N+](=C1C=CC(=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C
InChI
InChI=1S/C25H22NS/c1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21/h3-18H,1-2H3/q+1
InChIKey
IWBBAVPUHLAWGW-UHFFFAOYSA-N
Compound name
[4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

109
Patents

368.1473 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15458 184.8
[M+Na]+ 391.13652 204.2
[M+NH4]+ 386.18112 196.6
[M+K]+ 407.11046 191.4
[M-H]- 367.14002 197.8
[M+Na-2H]- 389.12197 199.9
[M]+ 368.14675 192.5
[M]- 368.14785 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe