CID 3033548

Bis(3-(4-pyridyl)propyl) vinylenedicarbamate

Structural Information

Molecular Formula
C20H24N4O4
SMILES
C1=CN=CC=C1CCCOC(=O)N/C=C/NC(=O)OCCCC2=CC=NC=C2
InChI
InChI=1S/C20H24N4O4/c25-19(27-15-1-3-17-5-9-21-10-6-17)23-13-14-24-20(26)28-16-2-4-18-7-11-22-12-8-18/h5-14H,1-4,15-16H2,(H,23,25)(H,24,26)/b14-13+
InChIKey
MRLHBPCRBGMMHW-BUHFOSPRSA-N
Compound name
3-pyridin-4-ylpropyl N-[(E)-2-(3-pyridin-4-ylpropoxycarbonylamino)ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 193.0
[M+Na]+ 407.16897 202.0
[M+NH4]+ 402.21357 196.4
[M+K]+ 423.14291 195.9
[M-H]- 383.17247 194.3
[M+Na-2H]- 405.15442 198.7
[M]+ 384.17920 194.0
[M]- 384.18030 194.0
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.