CID 65229

63610-07-1

Structural Information

Molecular Formula
C28H30N2O4
SMILES
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)OCCO
InChI
InChI=1S/C28H30N2O4/c1-5-29-23-15-25-21(13-17(23)3)27(19-9-7-8-10-20(19)28(32)33-12-11-31)22-14-18(4)24(30-6-2)16-26(22)34-25/h7-10,13-16,29,31H,5-6,11-12H2,1-4H3
InChIKey
RMSCDGBODFYHTF-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.22055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22783 217.1
[M+Na]+ 481.20977 224.3
[M-H]- 457.21327 226.1
[M+NH4]+ 476.25437 226.0
[M+K]+ 497.18371 220.0
[M+H-H2O]+ 441.21781 206.1
[M+HCOO]- 503.21875 236.5
[M+CH3COO]- 517.23440 244.7
[M+Na-2H]- 479.19522 219.0
[M]+ 458.22000 223.4
[M]- 458.22110 223.4
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.