CID 337292

86456-18-0

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CN(C)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C17H18N2O3/c1-19(2)9-8-18-13-4-3-5-15-16(13)17(21)12-10-11(20)6-7-14(12)22-15/h3-7,10,18,20H,8-9H2,1-2H3
InChIKey
GTDOTAYBRNQTSR-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethylamino]-7-hydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 167.0
[M+Na]+ 321.12096 176.4
[M-H]- 297.12446 174.0
[M+NH4]+ 316.16556 182.9
[M+K]+ 337.09490 173.9
[M+H-H2O]+ 281.12900 159.0
[M+HCOO]- 343.12994 190.6
[M+CH3COO]- 357.14559 211.6
[M+Na-2H]- 319.10641 175.8
[M]+ 298.13119 172.4
[M]- 298.13229 172.4
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

No patent data available for this compound.