CID 14434737

126320-56-7

Structural Information

Molecular Formula
C34H68N8O4
SMILES
CCN(CC)C(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC(=O)N(CC)CC
InChI
InChI=1S/C34H68N8O4/c1-9-39(10-2)31(43)27-35-19-17-20-37(29-33(45)41(13-5)14-6)25-26-38(30-34(46)42(15-7)16-8)22-18-21-36(24-23-35)28-32(44)40(11-3)12-4/h9-30H2,1-8H3
InChIKey
JKQNZLKTODZGSY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[4,8,11-tris[2-(diethylamino)-2-oxoethyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

652.5364 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.54368 248.7
[M+Na]+ 675.52562 246.9
[M+NH4]+ 670.57022 280.2
[M+K]+ 691.49956 280.0
[M-H]- 651.52912 276.8
[M+Na-2H]- 673.51107 245.7
[M]+ 652.53585 246.4
[M]- 652.53695 246.4
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

patents stripe