CID 75578

2469-84-3

Structural Information

Molecular Formula
C26H29N4O2
SMILES
CC1=CC(=C(C=C1C[N+](C)(C)N)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C26H28N4O2/c1-15-12-16(2)22(13-17(15)14-30(4,5)27)29-21-11-10-20(28-3)23-24(21)26(32)19-9-7-6-8-18(19)25(23)31/h6-13H,14,27H2,1-5H3,(H-,28,29,31,32)/p+1
InChIKey
NJKKBIGCRHNAGV-UHFFFAOYSA-O
Compound name
amino-[[2,4-dimethyl-5-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]phenyl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.22906 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23634 205.1
[M+Na]+ 452.21828 220.4
[M+NH4]+ 447.26288 213.7
[M+K]+ 468.19222 212.4
[M-H]- 428.22178 214.5
[M+Na-2H]- 450.20373 212.6
[M]+ 429.22851 210.4
[M]- 429.22961 210.4
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.