CID 74765997

1621020-00-5

Structural Information

Molecular Formula
C30H28N
SMILES
CC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=C2C4=C(C=C(C=C4C)C)C)C)C5=CC=CC=C5
InChI
InChI=1S/C30H28N/c1-19-11-13-27-25(17-19)30(29-22(4)15-21(3)16-23(29)5)26-18-20(2)12-14-28(26)31(27)24-9-7-6-8-10-24/h6-18H,1-5H3/q+1
InChIKey
JDZYETJLEQJCAU-UHFFFAOYSA-N
Compound name
2,7-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

402.22217 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22945 211.9
[M+Na]+ 425.21139 222.6
[M-H]- 401.21489 222.8
[M+NH4]+ 420.25599 223.4
[M+K]+ 441.18533 207.9
[M+H-H2O]+ 385.21943 201.9
[M+HCOO]- 447.22037 229.9
[M+CH3COO]- 461.23602 221.3
[M+Na-2H]- 423.19684 215.7
[M]+ 402.22162 214.1
[M]- 402.22272 214.1
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