PubChemLite - Rhodamine 6g (C28H30N2O3)

Structural Information

Molecular Formula

SMILES

CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3

InChIKey

IWWWBRIIGAXLCJ-UHFFFAOYSA-N

Compound name

ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	443.23293	214.6
[M+Na]+	465.21487	222.6
[M-H]-	441.21837	225.0
[M+NH4]+	460.25947	225.1
[M+K]+	481.18881	218.2
[M+H-H2O]+	425.22291	203.5
[M+HCOO]-	487.22385	235.4
[M+CH3COO]-	501.23950	244.6
[M+Na-2H]-	463.20032	216.7
[M]+	442.22510	221.3
[M]-	442.22620	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.23293

214.6

[M+Na]+

465.21487

222.6

[M-H]-

441.21837

225.0

[M+NH4]+

460.25947

225.1

[M+K]+

481.18881

218.2

[M+H-H2O]+

425.22291

203.5

[M+HCOO]-

487.22385

235.4

[M+CH3COO]-

501.23950

244.6

[M+Na-2H]-

463.20032

216.7

[M]+

442.22510

221.3

[M]-

442.22620

221.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Rhodamine 6g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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