CID 182541

117345-88-7

Structural Information

Molecular Formula
C25H29N3
SMILES
C[N+](C)(C)C1=CC2=C(N=C3C=C(C=CC3=C2C=C1)[N+](C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3/c1-27(2,3)19-12-14-21-22-15-13-20(28(4,5)6)17-24(22)26-25(23(21)16-19)18-10-8-7-9-11-18/h7-17H,1-6H3/q+2
InChIKey
QVWPXMMKXLSGIV-UHFFFAOYSA-N
Compound name
trimethyl-[6-phenyl-3-(trimethylazaniumyl)phenanthridin-8-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.23615 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.24343 193.6
[M+Na]+ 394.22537 201.2
[M-H]- 370.22887 203.6
[M+NH4]+ 389.26997 206.9
[M+K]+ 410.19931 184.8
[M+H-H2O]+ 354.23341 188.3
[M+HCOO]- 416.23435 213.4
[M+CH3COO]- 430.25000 220.0
[M+Na-2H]- 392.21082 207.6
[M]+ 371.23560 194.8
[M]- 371.23670 194.8
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.