CID 6702

1-amino-2-methylanthraquinone

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
InChIKey
ZLCUIOWQYBYEBG-UHFFFAOYSA-N
Compound name
1-amino-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

2952
Patents

237.07898 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 149.4
[M+Na]+ 260.06820 160.2
[M-H]- 236.07170 155.4
[M+NH4]+ 255.11280 169.4
[M+K]+ 276.04214 155.3
[M+H-H2O]+ 220.07624 143.0
[M+HCOO]- 282.07718 171.3
[M+CH3COO]- 296.09283 162.9
[M+Na-2H]- 258.05365 155.8
[M]+ 237.07843 149.3
[M]- 237.07953 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe