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

71
Patents

268.15756 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.164836 162.8
[M+Na]+ 291.146778 169.9
[M-H]- 267.150284 171.4
[M+NH4]+ 286.191383 181.0
[M+K]+ 307.120718 169.0
[M+H-H2O]+ 251.154820 154.6
[M+HCOO]- 313.155761 185.1
[M+CH3COO]- 327.171411 213.0
[M+Na-2H]- 289.132226 169.8
[M]+ 268.15701142 165.7
[M]- 268.15810858 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