CID 21156126

75476-95-8

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCCCCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H22N2O2/c1-3-4-7-12-22-16-11-10-15(21-2)17-18(16)20(24)14-9-6-5-8-13(14)19(17)23/h5-6,8-11,21-22H,3-4,7,12H2,1-2H3
InChIKey
ILGMFAWJBQYPEG-UHFFFAOYSA-N
Compound name
1-(methylamino)-4-(pentylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

322.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 175.2
[M+Na]+ 345.15734 182.7
[M-H]- 321.16084 180.4
[M+NH4]+ 340.20194 191.5
[M+K]+ 361.13128 177.2
[M+H-H2O]+ 305.16538 167.2
[M+HCOO]- 367.16632 196.9
[M+CH3COO]- 381.18197 218.4
[M+Na-2H]- 343.14279 180.3
[M]+ 322.16757 177.0
[M]- 322.16867 177.0
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