CID 104515

9h-xanthene-3,6-diamine, n3,n3,n6,n6-tetramethyl-

Structural Information

Molecular Formula
C17H20N2O
SMILES
CN(C)C1=CC2=C(CC3=C(O2)C=C(C=C3)N(C)C)C=C1
InChI
InChI=1S/C17H20N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-8,10-11H,9H2,1-4H3
InChIKey
GQXCVTPPQVJMIF-UHFFFAOYSA-N
Compound name
3-N,3-N,6-N,6-N-tetramethyl-9H-xanthene-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

268.15756 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 162.8
[M+Na]+ 291.14678 169.9
[M-H]- 267.15028 171.4
[M+NH4]+ 286.19138 181.0
[M+K]+ 307.12072 169.0
[M+H-H2O]+ 251.15482 154.6
[M+HCOO]- 313.15576 185.1
[M+CH3COO]- 327.17141 213.0
[M+Na-2H]- 289.13223 169.8
[M]+ 268.15701 165.7
[M]- 268.15811 165.7
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