CID 131801539

1810004-87-5

Structural Information

Molecular Formula
C36H40N
SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC3=[N+](C4=C2C=CC(=C4)C(C)(C)C)C5=CC=CC=C5)C(C)(C)C)C
InChI
InChI=1S/C36H40N/c1-23-19-24(2)33(25(3)20-23)34-29-17-15-26(35(4,5)6)21-31(29)37(28-13-11-10-12-14-28)32-22-27(36(7,8)9)16-18-30(32)34/h10-22H,1-9H3/q+1
InChIKey
RRHZITFUSGYHNB-UHFFFAOYSA-N
Compound name
3,6-ditert-butyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

486.31607 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.32335 231.9
[M+Na]+ 509.30529 254.6
[M+NH4]+ 504.34989 242.3
[M+K]+ 525.27923 242.5
[M-H]- 485.30879 242.8
[M+Na-2H]- 507.29074 243.6
[M]+ 486.31552 239.6
[M]- 486.31662 239.6
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