CID 20837974

94071-27-9

Structural Information

Molecular Formula
C33H46N3O2
SMILES
CCN(CCO)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)N(CC)CCO)C)C
InChI
InChI=1S/C33H46N3O2/c1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38/h11-18,23-24,37-38H,7-10,19-22H2,1-6H3/q+1
InChIKey
CCMXMEOTRIBOCY-UHFFFAOYSA-N
Compound name
[4-[bis[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.359 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.36628 239.4
[M+Na]+ 539.34822 238.8
[M-H]- 515.35172 248.4
[M+NH4]+ 534.39282 244.4
[M+K]+ 555.32216 228.6
[M+H-H2O]+ 499.35626 230.0
[M+HCOO]- 561.35720 257.5
[M+CH3COO]- 575.37285 255.0
[M+Na-2H]- 537.33367 234.6
[M]+ 516.35845 239.9
[M]- 516.35955 239.9
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

No patent data available for this compound.