CID 130858

Aa-1

Structural Information

Molecular Formula
C25H24N3S
SMILES
C[N+](=C1C=CC(=C2C=C(SC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C1)C
InChI
InChI=1S/C25H23N3S/c1-28(2)23-13-7-17(8-14-23)20-15-24(18-3-9-21(26)10-4-18)29-25(16-20)19-5-11-22(27)12-6-19/h3-16H,1-2H3,(H3,26,27)/p+1
InChIKey
PKLOZHIGRZQGTI-UHFFFAOYSA-O
Compound name
[4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

398.1691 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17638 192.8
[M+Na]+ 421.15832 209.6
[M+NH4]+ 416.20292 203.1
[M+K]+ 437.13226 198.5
[M-H]- 397.16182 206.0
[M+Na-2H]- 419.14377 205.9
[M]+ 398.16855 199.9
[M]- 398.16965 199.9
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.