CID 373079

Nsc648999

Structural Information

Molecular Formula
C24H53N5
SMILES
CCCCCCCCCCCCNC1(CNCCCNCCNCCCNC1)C
InChI
InChI=1S/C24H53N5/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(2)22-27-17-13-15-25-20-21-26-16-14-18-28-23-24/h25-29H,3-23H2,1-2H3
InChIKey
CULLETOHXDCJIM-UHFFFAOYSA-N
Compound name
N-dodecyl-10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.43008 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.43736 208.9
[M+Na]+ 434.41930 203.4
[M-H]- 410.42280 196.5
[M+NH4]+ 429.46390 209.3
[M+K]+ 450.39324 197.1
[M+H-H2O]+ 394.42734 201.3
[M+HCOO]- 456.42828 210.0
[M+CH3COO]- 470.44393 211.8
[M+Na-2H]- 432.40475 204.8
[M]+ 411.42953 192.4
[M]- 411.43063 192.4
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.