CID 12011965

Hc blue no.16

Structural Information

Molecular Formula
C23H30N3O2
SMILES
CCC[N+](C)(C)CCCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C23H29N3O2/c1-5-14-26(3,4)15-8-13-25-19-12-11-18(24-2)20-21(19)23(28)17-10-7-6-9-16(17)22(20)27/h6-7,9-12H,5,8,13-15H2,1-4H3,(H-,24,25,27,28)/p+1
InChIKey
QZSARPCQCXNJIL-UHFFFAOYSA-O
Compound name
dimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]-propylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

729
Patents

380.2338 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24108 191.5
[M+Na]+ 403.22302 205.1
[M+NH4]+ 398.26762 200.1
[M+K]+ 419.19696 197.1
[M-H]- 379.22652 197.8
[M+Na-2H]- 401.20847 197.3
[M]+ 380.23325 195.6
[M]- 380.23435 195.6
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