CID 112237

69093-18-1

Structural Information

Molecular Formula
C17H16N2O4
SMILES
CC(C)NC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)N
InChI
InChI=1S/C17H16N2O4/c1-7(2)19-9-4-6-11(21)15-13(9)17(23)14-10(20)5-3-8(18)12(14)16(15)22/h3-7,19-21H,18H2,1-2H3
InChIKey
DAHSRRGMYJJGTF-UHFFFAOYSA-N
Compound name
1-amino-4,8-dihydroxy-5-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

312.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.4
[M+Na]+ 335.10022 182.2
[M+NH4]+ 330.14482 177.0
[M+K]+ 351.07416 177.1
[M-H]- 311.10372 172.8
[M+Na-2H]- 333.08567 173.0
[M]+ 312.11045 172.5
[M]- 312.11155 172.5
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