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 191.4
[M+Na]+ 407.16897 193.6
[M-H]- 383.17247 193.9
[M+NH4]+ 402.21357 198.7
[M+K]+ 423.14291 189.6
[M+H-H2O]+ 367.17701 179.8
[M+HCOO]- 429.17795 212.6
[M+CH3COO]- 443.19360 219.6
[M+Na-2H]- 405.15442 195.5
[M]+ 384.17920 193.9
[M]- 384.18030 193.9
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.