CID 6912105

62609-97-6

Structural Information

Molecular Formula
C24H21N2S
SMILES
CC1=C(C2=CC=CC=C2N1)/C(=C/C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)/C
InChI
InChI=1S/C24H20N2S/c1-15(23-16(2)25-20-11-7-6-10-19(20)23)14-22-26(3)24-18-9-5-4-8-17(18)12-13-21(24)27-22/h4-14H,1-3H3/p+1
InChIKey
ZGQNWMATNYKDCO-UHFFFAOYSA-O
Compound name
1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14255 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14983 184.1
[M+Na]+ 392.13177 203.6
[M+NH4]+ 387.17637 195.5
[M+K]+ 408.10571 195.4
[M-H]- 368.13527 191.6
[M+Na-2H]- 390.11722 192.7
[M]+ 369.14200 190.2
[M]- 369.14310 190.2
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.