CID 2723590

Einecs 253-649-9

Structural Information

Molecular Formula
C18H20NO
SMILES
C[N+](=C1C(CCO1)(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20NO/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1
InChIKey
LFTJLBZHKDXXBN-UHFFFAOYSA-N
Compound name
(3,3-diphenyloxolan-2-ylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

266.15448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16176 165.9
[M+Na]+ 289.14370 171.4
[M-H]- 265.14720 177.5
[M+NH4]+ 284.18830 184.2
[M+K]+ 305.11764 163.5
[M+H-H2O]+ 249.15174 160.6
[M+HCOO]- 311.15268 188.9
[M+CH3COO]- 325.16833 193.3
[M+Na-2H]- 287.12915 172.2
[M]+ 266.15393 162.9
[M]- 266.15503 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe