CID 372036

Nsc646853

Structural Information

Molecular Formula
C18H17NO4
SMILES
CC1=C(C=CC2=C1OC3=C(C=CC=C3C2=O)CC(=O)O)N(C)C
InChI
InChI=1S/C18H17NO4/c1-10-14(19(2)3)8-7-13-16(22)12-6-4-5-11(9-15(20)21)18(12)23-17(10)13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKey
FDRZJJVCYSGCRL-UHFFFAOYSA-N
Compound name
2-[6-(dimethylamino)-5-methyl-9-oxoxanthen-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 169.7
[M+Na]+ 334.10497 180.2
[M-H]- 310.10847 177.0
[M+NH4]+ 329.14957 185.4
[M+K]+ 350.07891 178.2
[M+H-H2O]+ 294.11301 162.0
[M+HCOO]- 356.11395 191.2
[M+CH3COO]- 370.12960 213.2
[M+Na-2H]- 332.09042 175.6
[M]+ 311.11520 176.6
[M]- 311.11630 176.6
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

No patent data available for this compound.