CID 5393133

Calcein blue

Structural Information

Molecular Formula
C15H15NO7
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)O
InChI
InChI=1S/C15H15NO7/c1-8-4-14(22)23-15-9(8)2-3-11(17)10(15)5-16(6-12(18)19)7-13(20)21/h2-4,17H,5-7H2,1H3,(H,18,19)(H,20,21)
InChIKey
RJPSHDMGSVVHFA-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2704
Patents

321.08484 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09212 169.2
[M+Na]+ 344.07406 179.0
[M+NH4]+ 339.11866 173.0
[M+K]+ 360.04800 177.1
[M-H]- 320.07756 169.3
[M+Na-2H]- 342.05951 170.4
[M]+ 321.08429 170.1
[M]- 321.08539 170.1
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