CID 88392

20171-06-6

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCCCNC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC
InChI
InChI=1S/C20H21N3O3/c1-3-4-9-23-20(26)13-10-14(22-2)15-16(17(13)21)19(25)12-8-6-5-7-11(12)18(15)24/h5-8,10,22H,3-4,9,21H2,1-2H3,(H,23,26)
InChIKey
UNEWTZKBSHBFEM-UHFFFAOYSA-N
Compound name
1-amino-N-butyl-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.1583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 181.8
[M+Na]+ 374.147518 189.1
[M-H]- 350.151024 186.8
[M+NH4]+ 369.192123 196.2
[M+K]+ 390.121458 184.3
[M+H-H2O]+ 334.155560 173.8
[M+HCOO]- 396.156501 203.0
[M+CH3COO]- 410.172151 226.5
[M+Na-2H]- 372.132966 184.7
[M]+ 351.15775142 182.4
[M]- 351.15884858 182.4
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