CID 112865

62570-50-7

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3
InChIKey
ATXPWKWYLDEURI-UHFFFAOYSA-N
Compound name
1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

437
Patents

291.10077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 171.8
[M+Na]+ 314.08999 184.4
[M+NH4]+ 309.13459 176.3
[M+K]+ 330.06393 173.6
[M-H]- 290.09349 168.3
[M+Na-2H]- 312.07544 173.6
[M]+ 291.10022 171.7
[M]- 291.10132 171.7
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