CID 6912367

2,3-dimethyl-7-(4-(dimethylamino)benzylidene)-3,7-dihydroimidazo(4,5-g)indolizin-6-ium iodide

Structural Information

Molecular Formula
C26H25N4
SMILES
CC1=NC2=C3C=C(/C(=C/C4=CC=C(C=C4)N(C)C)/N3C=CC2=[N+]1C)C5=CC=CC=C5
InChI
InChI=1S/C26H25N4/c1-18-27-26-23(29(18)4)14-15-30-24(16-19-10-12-21(13-11-19)28(2)3)22(17-25(26)30)20-8-6-5-7-9-20/h5-17H,1-4H3/q+1
InChIKey
MOLFCEAETKWZKF-UHFFFAOYSA-N
Compound name
4-[(Z)-(2,3-dimethyl-8-phenylimidazo[4,5-g]indolizin-3-ium-7-ylidene)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20792 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21520 203.5
[M+Na]+ 416.19714 214.5
[M-H]- 392.20064 214.6
[M+NH4]+ 411.24174 216.6
[M+K]+ 432.17108 201.0
[M+H-H2O]+ 376.20518 194.8
[M+HCOO]- 438.20612 225.6
[M+CH3COO]- 452.22177 214.0
[M+Na-2H]- 414.18259 206.4
[M]+ 393.20737 208.1
[M]- 393.20847 208.1
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.