CID 65100

22103-92-0

Structural Information

Molecular Formula
C28H22N2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C
InChI
InChI=1S/C28H22N2/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28/h3-18H,1-2H3/q+2
InChIKey
FULGIHLPACFUCU-UHFFFAOYSA-N
Compound name
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

954
References

9945
Patents

386.17828 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18556 207.7
[M+Na]+ 409.16750 218.0
[M-H]- 385.17100 215.7
[M+NH4]+ 404.21210 218.8
[M+K]+ 425.14144 197.8
[M+H-H2O]+ 369.17554 198.7
[M+HCOO]- 431.17648 223.2
[M+CH3COO]- 445.19213 215.9
[M+Na-2H]- 407.15295 219.4
[M]+ 386.17773 208.6
[M]- 386.17883 208.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe