CID 15461395

1,3-bis[4-(dimethylamino)phenyl]-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt)

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=C2O)C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C20H22N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12,23-24H,1-4H3
InChIKey
BRWFYMNUSGJNPF-UHFFFAOYSA-N
Compound name
2,4-bis[4-(dimethylamino)phenyl]cyclobuta-1,3-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

322.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 181.5
[M+Na]+ 345.15734 187.3
[M-H]- 321.16084 191.6
[M+NH4]+ 340.20194 188.9
[M+K]+ 361.13128 187.8
[M+H-H2O]+ 305.16538 166.3
[M+HCOO]- 367.16632 204.6
[M+CH3COO]- 381.18197 221.5
[M+Na-2H]- 343.14279 181.8
[M]+ 322.16757 192.9
[M]- 322.16867 192.9
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