CID 9570269

L.m. 2014

Structural Information

Molecular Formula
C26H40N4O2
SMILES
C[N+](CCCO/N=C(/C(=N/OCCC[N+](C)(C)C)/C1=CC=CC=C1)\C2=CC=CC=C2)(C)C
InChI
InChI=1S/C26H40N4O2/c1-29(2,3)19-13-21-31-27-25(23-15-9-7-10-16-23)26(24-17-11-8-12-18-24)28-32-22-14-20-30(4,5)6/h7-12,15-18H,13-14,19-22H2,1-6H3/q+2/b27-25+,28-26+
InChIKey
FDCVNHXODOUTTB-NBHCHVEOSA-N
Compound name
3-[(E)-[(2E)-1,2-diphenyl-2-[3-(trimethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.31512 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.32240 209.7
[M+Na]+ 463.30434 209.2
[M-H]- 439.30784 219.5
[M+NH4]+ 458.34894 219.3
[M+K]+ 479.27828 196.7
[M+H-H2O]+ 423.31238 204.0
[M+HCOO]- 485.31332 233.8
[M+CH3COO]- 499.32897 236.9
[M+Na-2H]- 461.28979 219.2
[M]+ 440.31457 212.6
[M]- 440.31567 212.6
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.