CID 4205033

Rhodamine b hydrazide

Structural Information

Molecular Formula
C28H32N4O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3N
InChI
InChI=1S/C28H32N4O2/c1-5-30(6-2)19-13-15-23-25(17-19)34-26-18-20(31(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(33)32(28)29/h9-18H,5-8,29H2,1-4H3
InChIKey
WTDHTIVYKKLOTC-UHFFFAOYSA-N
Compound name
2-amino-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

239
Patents

456.25253 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.25981 214.7
[M+Na]+ 479.24175 221.4
[M-H]- 455.24525 223.9
[M+NH4]+ 474.28635 227.9
[M+K]+ 495.21569 217.3
[M+H-H2O]+ 439.24979 203.8
[M+HCOO]- 501.25073 232.2
[M+CH3COO]- 515.26638 223.1
[M+Na-2H]- 477.22720 216.4
[M]+ 456.25198 218.3
[M]- 456.25308 218.3
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

patents stripe