CID 135832081

Ns00123671

Structural Information

Molecular Formula
C20H21NO3
SMILES
CC(C)OCCCN=C1C=CC(=O)C2=CC3=CC=CC=C3C(=C12)O
InChI
InChI=1S/C20H21NO3/c1-13(2)24-11-5-10-21-17-8-9-18(22)16-12-14-6-3-4-7-15(14)20(23)19(16)17/h3-4,6-9,12-13,23H,5,10-11H2,1-2H3
InChIKey
LWAQUTKVLUQZQP-UHFFFAOYSA-N
Compound name
10-hydroxy-4-(3-propan-2-yloxypropylimino)anthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.159406 175.5
[M+Na]+ 346.141348 182.5
[M-H]- 322.144854 180.4
[M+NH4]+ 341.185953 191.6
[M+K]+ 362.115288 178.0
[M+H-H2O]+ 306.149390 167.5
[M+HCOO]- 368.150331 195.3
[M+CH3COO]- 382.165981 214.3
[M+Na-2H]- 344.126796 179.6
[M]+ 323.15158142 178.1
[M]- 323.15267858 178.1
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.