CID 6912368

123202-71-1

Structural Information

Molecular Formula
C27H27N4
SMILES
CC1=C(/C(=C/C2=CC=C(C=C2)N(C)C)/N3C1=C4C(=[N+](C(=N4)C)C)C=C3)C5=CC=CC=C5
InChI
InChI=1S/C27H27N4/c1-18-25(21-9-7-6-8-10-21)24(17-20-11-13-22(14-12-20)29(3)4)31-16-15-23-26(27(18)31)28-19(2)30(23)5/h6-17H,1-5H3/q+1
InChIKey
XEFQSWWHJWPLTG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(Z)-(2,3,9-trimethyl-8-phenylimidazo[4,5-g]indolizin-3-ium-7-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.22357 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.23085 208.7
[M+Na]+ 430.21279 220.1
[M-H]- 406.21629 219.9
[M+NH4]+ 425.25739 221.5
[M+K]+ 446.18673 206.4
[M+H-H2O]+ 390.22083 200.1
[M+HCOO]- 452.22177 230.4
[M+CH3COO]- 466.23742 219.0
[M+Na-2H]- 428.19824 210.4
[M]+ 407.22302 214.0
[M]- 407.22412 214.0
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.