CID 161043

14254-18-3

Structural Information

Molecular Formula
C21H26N3O2
SMILES
CNC1=C2C(=C(C=C1)NCCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H25N3O2/c1-22-16-10-11-17(23-12-7-13-24(2,3)4)19-18(16)20(25)14-8-5-6-9-15(14)21(19)26/h5-6,8-11H,7,12-13H2,1-4H3,(H-,22,23,25,26)/p+1
InChIKey
ASWFVRBTTRCNAK-UHFFFAOYSA-O
Compound name
trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

352.2025 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20978 182.4
[M+Na]+ 375.19172 196.4
[M+NH4]+ 370.23632 191.4
[M+K]+ 391.16566 188.9
[M-H]- 351.19522 188.8
[M+Na-2H]- 373.17717 188.8
[M]+ 352.20195 186.6
[M]- 352.20305 186.6
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

patents stripe