CID 80141

Einecs 227-929-6

Structural Information

Molecular Formula
C26H32N4O3
SMILES
CNC1=C2C(=C(C(=C1)C(=O)N)NCCCN(C)C3CCCCC3)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C26H32N4O3/c1-28-20-15-19(26(27)33)23(29-13-8-14-30(2)16-9-4-3-5-10-16)22-21(20)24(31)17-11-6-7-12-18(17)25(22)32/h6-7,11-12,15-16,28-29H,3-5,8-10,13-14H2,1-2H3,(H2,27,33)
InChIKey
ULFCYLLDLQBZCN-UHFFFAOYSA-N
Compound name
1-[3-[cyclohexyl(methyl)amino]propylamino]-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.24744 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25472 206.0
[M+Na]+ 471.23666 207.8
[M-H]- 447.24016 213.1
[M+NH4]+ 466.28126 215.5
[M+K]+ 487.21060 203.7
[M+H-H2O]+ 431.24470 195.6
[M+HCOO]- 493.24564 223.4
[M+CH3COO]- 507.26129 250.6
[M+Na-2H]- 469.22211 205.7
[M]+ 448.24689 202.3
[M]- 448.24799 202.3
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

No patent data available for this compound.