CID 117621

Einecs 247-226-8

Structural Information

Molecular Formula
C26H27N3O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NCCCN(C)C)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C26H27N3O2/c1-17-9-11-18(12-10-17)28-22-14-13-21(27-15-6-16-29(2)3)23-24(22)26(31)20-8-5-4-7-19(20)25(23)30/h4-5,7-14,27-28H,6,15-16H2,1-3H3
InChIKey
FTYQWGDZBXEMPO-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4-(4-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

413.21033 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 201.1
[M+Na]+ 436.19955 207.0
[M-H]- 412.20305 210.1
[M+NH4]+ 431.24415 213.1
[M+K]+ 452.17349 201.5
[M+H-H2O]+ 396.20759 190.4
[M+HCOO]- 458.20853 223.0
[M+CH3COO]- 472.22418 241.8
[M+Na-2H]- 434.18500 204.4
[M]+ 413.20978 202.9
[M]- 413.21088 202.9
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