CID 135705524

117941-64-7

Structural Information

Molecular Formula
C17H22N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2CCCC3=CC=CC=C23)/C=N/O
InChI
InChI=1S/C17H21N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12-13H2,1H3/p+1
InChIKey
HOSCJRGANCGYJR-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1712 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17848 172.5
[M+Na]+ 323.16042 178.7
[M-H]- 299.16392 177.2
[M+NH4]+ 318.20502 187.1
[M+K]+ 339.13436 168.6
[M+H-H2O]+ 283.16846 165.7
[M+HCOO]- 345.16940 192.1
[M+CH3COO]- 359.18505 198.6
[M+Na-2H]- 321.14587 178.2
[M]+ 300.17065 171.5
[M]- 300.17175 171.5
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.