CID 112386

70210-03-6

Structural Information

Molecular Formula
C24H24N3O2
SMILES
C[N+](C)(C)CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H23N3O2/c1-27(2,3)14-15-8-10-16(11-9-15)26-20-13-12-19(25)21-22(20)24(29)18-7-5-4-6-17(18)23(21)28/h4-13H,14H2,1-3H3,(H2-,25,26,28,29)/p+1
InChIKey
CWTMLLAXDFDKBN-UHFFFAOYSA-O
Compound name
[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]phenyl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.18686 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19414 192.9
[M+Na]+ 409.17608 200.0
[M-H]- 385.17958 202.3
[M+NH4]+ 404.22068 206.0
[M+K]+ 425.15002 188.7
[M+H-H2O]+ 369.18412 186.0
[M+HCOO]- 431.18506 213.8
[M+CH3COO]- 445.20071 227.6
[M+Na-2H]- 407.16153 200.8
[M]+ 386.18631 191.7
[M]- 386.18741 191.7
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.