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

728
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 191.6
[M+Na]+ 403.22302 197.1
[M-H]- 379.22652 197.7
[M+NH4]+ 398.26762 205.6
[M+K]+ 419.19696 186.6
[M+H-H2O]+ 363.23106 185.8
[M+HCOO]- 425.23200 212.3
[M+CH3COO]- 439.24765 227.9
[M+Na-2H]- 401.20847 199.5
[M]+ 380.23325 193.2
[M]- 380.23435 193.2
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