CID 59050857

Dtxsid20886181

Structural Information

Molecular Formula
C25H28ClN2
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C1=CC=[N+]3C4CCCCC4C5=CC=CC=C53)C)C
InChI
InChI=1S/C25H28ClN2/c1-25(2)20-16-17(26)12-13-23(20)27(3)24(25)14-15-28-21-10-6-4-8-18(21)19-9-5-7-11-22(19)28/h4,6,8,10,12-16,19,22H,5,7,9,11H2,1-3H3/q+1
InChIKey
KMXPNCUSXAXXFS-UHFFFAOYSA-N
Compound name
9-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-1,2,3,4,4a,9a-hexahydrocarbazol-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.1941 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20138 205.3
[M+Na]+ 414.18332 214.1
[M-H]- 390.18682 211.4
[M+NH4]+ 409.22792 223.3
[M+K]+ 430.15726 198.4
[M+H-H2O]+ 374.19136 198.4
[M+HCOO]- 436.19230 213.3
[M+CH3COO]- 450.20795 213.5
[M+Na-2H]- 412.16877 203.3
[M]+ 391.19355 202.7
[M]- 391.19465 202.7
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

patents stripe