CID 44154368

94023-34-4

Structural Information

Molecular Formula
C32H63N5O2
SMILES
CCCCCCCCCCCC(=O)NCC(NC(CNC(=O)CCCCCCCCCCC)N1CC1)N2CC2
InChI
InChI=1S/C32H63N5O2/c1-3-5-7-9-11-13-15-17-19-21-31(38)33-27-29(36-23-24-36)35-30(37-25-26-37)28-34-32(39)22-20-18-16-14-12-10-8-6-4-2/h29-30,35H,3-28H2,1-2H3,(H,33,38)(H,34,39)
InChIKey
VEEJBJMULADAKI-UHFFFAOYSA-N
Compound name
N-[2-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-(dodecanoylamino)ethyl]amino]ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.49817 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.50545 234.3
[M+Na]+ 572.48739 230.7
[M-H]- 548.49089 235.1
[M+NH4]+ 567.53199 265.0
[M+K]+ 588.46133 223.6
[M+H-H2O]+ 532.49543 225.0
[M+HCOO]- 594.49637 247.2
[M+CH3COO]- 608.51202 262.8
[M+Na-2H]- 570.47284 226.9
[M]+ 549.49762 243.2
[M]- 549.49872 243.2
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.