CID 33623

26837-71-8

Structural Information

Molecular Formula
C35H72N3
SMILES
CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C
InChI
InChI=1S/C35H72N3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-38(6,30-21-27-36-32(2)23-24-33(36)3)31-22-28-37-34(4)25-26-35(37)5/h32-35H,7-31H2,1-6H3/q+1
InChIKey
VMIYNXFWQJSJDA-UHFFFAOYSA-N
Compound name
bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

534.57263 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.57991 252.2
[M+Na]+ 557.56185 248.7
[M-H]- 533.56535 253.5
[M+NH4]+ 552.60645 259.6
[M+K]+ 573.53579 236.8
[M+H-H2O]+ 517.56989 244.1
[M+HCOO]- 579.57083 262.9
[M+CH3COO]- 593.58648 256.4
[M+Na-2H]- 555.54730 242.7
[M]+ 534.57208 255.8
[M]- 534.57318 255.8
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

patents stripe