CID 103172

Einecs 265-404-3

Structural Information

Molecular Formula
C34H54N4O7
SMILES
C1CC(CCC1CC2CCC(CC2)N=C=O)NC(=O)OCCOCCOC(=O)NC3CCC(CC3)CC4CCC(CC4)N=C=O
InChI
InChI=1S/C34H54N4O7/c39-23-35-29-9-1-25(2-10-29)21-27-5-13-31(14-6-27)37-33(41)44-19-17-43-18-20-45-34(42)38-32-15-7-28(8-16-32)22-26-3-11-30(12-4-26)36-24-40/h25-32H,1-22H2,(H,37,41)(H,38,42)
InChIKey
ZKFFNZRFZGRXPX-UHFFFAOYSA-N
Compound name
2-[2-[[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamoyloxy]ethoxy]ethyl N-[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.39923 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.40651 244.1
[M+Na]+ 653.38845 233.5
[M-H]- 629.39195 252.0
[M+NH4]+ 648.43305 242.8
[M+K]+ 669.36239 232.0
[M+H-H2O]+ 613.39649 230.7
[M+HCOO]- 675.39743 254.0
[M+CH3COO]- 689.41308 276.8
[M+Na-2H]- 651.37390 236.0
[M]+ 630.39868 234.3
[M]- 630.39978 234.3
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.