CID 57851957

Hc blue no. 17

Structural Information

Molecular Formula
C21H26N3O2
SMILES
CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C21H25N3O2/c1-13-12-16(23-10-7-11-24(2,3)4)17-18(19(13)22)21(26)15-9-6-5-8-14(15)20(17)25/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2-,22,23,25,26)/p+1
InChIKey
MYLMAALWYOYEPB-UHFFFAOYSA-O
Compound name
3-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
Patents

352.2025 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20978 182.7
[M+Na]+ 375.19172 196.8
[M+NH4]+ 370.23632 191.6
[M+K]+ 391.16566 189.7
[M-H]- 351.19522 189.0
[M+Na-2H]- 373.17717 188.4
[M]+ 352.20195 186.9
[M]- 352.20305 186.9
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