CID 393890

Nsc696850

Structural Information

Molecular Formula
C22H42N6O2
SMILES
C1CCN(CC1)C(=O)CN2CCNCCN(CCNCC2)CC(=O)N3CCCCC3
InChI
InChI=1S/C22H42N6O2/c29-21(27-11-3-1-4-12-27)19-25-15-7-23-9-17-26(18-10-24-8-16-25)20-22(30)28-13-5-2-6-14-28/h23-24H,1-20H2
InChIKey
QYURTXOCHABJSH-UHFFFAOYSA-N
Compound name
2-[7-(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetrazacyclododec-1-yl]-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.3369 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.34418 206.3
[M+Na]+ 445.32612 200.3
[M-H]- 421.32962 198.7
[M+NH4]+ 440.37072 201.7
[M+K]+ 461.30006 195.7
[M+H-H2O]+ 405.33416 194.8
[M+HCOO]- 467.33510 201.3
[M+CH3COO]- 481.35075 204.6
[M+Na-2H]- 443.31157 198.5
[M]+ 422.33635 184.6
[M]- 422.33745 184.6
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.