CID 135705480

117983-41-2

Structural Information

Molecular Formula
C18H22N3O2
SMILES
CC(C)C(C#CC1=CC=CC=C1)OCN2C=C[N+](=C2/C=N/O)C
InChI
InChI=1S/C18H21N3O2/c1-15(2)17(10-9-16-7-5-4-6-8-16)23-14-21-12-11-20(3)18(21)13-19-22/h4-8,11-13,15,17H,14H2,1-3H3/p+1
InChIKey
DQWACTSZKIYABE-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-[(4-methyl-1-phenylpent-1-yn-3-yl)oxymethyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17848 173.6
[M+Na]+ 335.16042 185.9
[M+NH4]+ 330.20502 176.9
[M+K]+ 351.13436 178.8
[M-H]- 311.16392 168.8
[M+Na-2H]- 333.14587 176.7
[M]+ 312.17065 173.3
[M]- 312.17175 173.3
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.