CID 9889006

Schembl6265698

Structural Information

Molecular Formula
C25H54N3
SMILES
CCCCN(CCCC)C(=[N+](CCCC)CCCC)N(CCCC)CCCC
InChI
InChI=1S/C25H54N3/c1-7-13-19-26(20-14-8-2)25(27(21-15-9-3)22-16-10-4)28(23-17-11-5)24-18-12-6/h7-24H2,1-6H3/q+1
InChIKey
CJTDRDJUGRBDKP-UHFFFAOYSA-N
Compound name
bis(dibutylamino)methylidene-dibutylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

396.43176 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.43904 218.0
[M+Na]+ 419.42098 215.8
[M-H]- 395.42448 219.5
[M+NH4]+ 414.46558 256.2
[M+K]+ 435.39492 209.2
[M+H-H2O]+ 379.42902 211.3
[M+HCOO]- 441.42996 257.2
[M+CH3COO]- 455.44561 240.0
[M+Na-2H]- 417.40643 214.3
[M]+ 396.43121 224.9
[M]- 396.43231 224.9
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.