CID 219017

41568-88-1

Structural Information

Molecular Formula
C42H66N5O5
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=NNC(=O)C[N+](C)(C)C)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C42H65N5O5/c1-8-12-22-45(23-13-9-2)26-16-28-51-41(49)33-18-20-35-36-21-19-34(42(50)52-29-17-27-46(24-14-10-3)25-15-11-4)31-38(36)40(37(35)30-33)44-43-39(48)32-47(5,6)7/h18-21,30-31H,8-17,22-29,32H2,1-7H3/p+1
InChIKey
BYXSSAGMKWDFBX-UHFFFAOYSA-O
Compound name
[2-[2-[2,7-bis[3-(dibutylamino)propoxycarbonyl]fluoren-9-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.5064 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.51368 289.7
[M+Na]+ 743.49562 305.6
[M-H]- 719.49912 293.6
[M+NH4]+ 738.54022 299.6
[M+K]+ 759.46956 277.0
[M+H-H2O]+ 703.50366 280.4
[M+HCOO]- 765.50460 298.0
[M+CH3COO]- 779.52025 301.7
[M+Na-2H]- 741.48107 286.0
[M]+ 720.50585 279.4
[M]- 720.50695 279.4
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.