CID 65194

Basic red 1:1

Structural Information

Molecular Formula
C27H28N2O3
SMILES
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)OC
InChI
InChI=1S/C27H28N2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24/h8-15,28H,6-7H2,1-5H3
InChIKey
FRWVYEYQVJKWSZ-UHFFFAOYSA-N
Compound name
methyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

428.21 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21728 210.0
[M+Na]+ 451.19922 218.4
[M-H]- 427.20272 220.6
[M+NH4]+ 446.24382 221.0
[M+K]+ 467.17316 214.2
[M+H-H2O]+ 411.20726 199.1
[M+HCOO]- 473.20820 231.2
[M+CH3COO]- 487.22385 241.7
[M+Na-2H]- 449.18467 212.6
[M]+ 428.20945 216.4
[M]- 428.21055 216.4
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

patents stripe