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

382
Patents

291.10077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.108046 172.6
[M+Na]+ 314.089988 184.7
[M-H]- 290.093494 177.0
[M+NH4]+ 309.134593 188.1
[M+K]+ 330.063928 176.9
[M+H-H2O]+ 274.098030 159.6
[M+HCOO]- 336.098971 190.9
[M+CH3COO]- 350.114621 220.6
[M+Na-2H]- 312.075436 176.3
[M]+ 291.10022142 167.4
[M]- 291.10131858 167.4
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