CID 34053

Fixative f3

Structural Information

Molecular Formula
C23H30N
SMILES
CC[N+](CC)(CC)CC1=CC=C(C=C1)C([CH])C([CH])C2=CC=CC=C2
InChI
InChI=1S/C23H30N/c1-6-24(7-2,8-3)18-21-14-16-23(17-15-21)20(5)19(4)22-12-10-9-11-13-22/h4-5,9-17,19-20H,6-8,18H2,1-3H3/q+1
InChIKey
NKBXSABAJNFDJE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23782 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24510 183.5
[M+Na]+ 343.22704 186.4
[M-H]- 319.23054 190.4
[M+NH4]+ 338.27164 197.8
[M+K]+ 359.20098 176.9
[M+H-H2O]+ 303.23508 177.8
[M+HCOO]- 365.23602 203.2
[M+CH3COO]- 379.25167 212.9
[M+Na-2H]- 341.21249 187.3
[M]+ 320.23727 183.9
[M]- 320.23837 183.9
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.