CID 202370

L.m. 2017

Structural Information

Molecular Formula
C18H34N4O2
SMILES
C[N+](C)(C)CCCON=C1C=CC(=NOCCC[N+](C)(C)C)C=C1
InChI
InChI=1S/C18H34N4O2/c1-21(2,3)13-7-15-23-19-17-9-11-18(12-10-17)20-24-16-8-14-22(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2
InChIKey
MNJXTKXUSXDQHW-UHFFFAOYSA-N
Compound name
trimethyl-[3-[[4-[3-(trimethylazaniumyl)propoxyimino]cyclohexa-2,5-dien-1-ylidene]amino]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.27548 177.8
[M+Na]+ 361.25742 180.5
[M-H]- 337.26092 185.7
[M+NH4]+ 356.30202 192.7
[M+K]+ 377.23136 169.5
[M+H-H2O]+ 321.26546 174.8
[M+HCOO]- 383.26640 204.1
[M+CH3COO]- 397.28205 218.3
[M+Na-2H]- 359.24287 189.8
[M]+ 338.26765 180.9
[M]- 338.26875 180.9
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.