CID 41444

55406-56-9

Structural Information

Molecular Formula
C14H18I2N2O4
SMILES
C(CCCNC(=O)OCC#CI)CCNC(=O)OCC#CI
InChI
InChI=1S/C14H18I2N2O4/c15-7-5-11-21-13(19)17-9-3-1-2-4-10-18-14(20)22-12-6-8-16/h1-4,9-12H2,(H,17,19)(H,18,20)
InChIKey
QVKFOIYWSPUKGG-UHFFFAOYSA-N
Compound name
3-iodoprop-2-ynyl N-[6-(3-iodoprop-2-ynoxycarbonylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.9356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.94288 195.2
[M+Na]+ 554.92482 190.8
[M+NH4]+ 549.96942 189.3
[M+K]+ 570.89876 187.0
[M-H]- 530.92832 178.5
[M+Na-2H]- 552.91027 178.9
[M]+ 531.93505 187.5
[M]- 531.93615 187.5
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.