CID 3052710

Usaf xr-38

Structural Information

Molecular Formula
C38H66N
SMILES
CCCCCCCCCCCCCCC1=C[N+](=C(C2=CC=CC=C21)CCCCCCCCCCCCCC)C
InChI
InChI=1S/C38H66N/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-35-34-39(3)38(37-32-29-28-31-36(35)37)33-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-29,31-32,34H,4-27,30,33H2,1-3H3/q+1
InChIKey
QMGSCJOYSFGBOU-UHFFFAOYSA-N
Compound name
2-methyl-1,4-di(tetradecyl)isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.51953 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.52681 257.5
[M+Na]+ 559.50875 256.1
[M-H]- 535.51225 256.1
[M+NH4]+ 554.55335 262.7
[M+K]+ 575.48269 240.7
[M+H-H2O]+ 519.51679 248.0
[M+HCOO]- 581.51773 269.9
[M+CH3COO]- 595.53338 254.1
[M+Na-2H]- 557.49420 252.8
[M]+ 536.51898 266.3
[M]- 536.52008 266.3
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.