CID 3038299

Urea, 1,1'-vinylenebis(3-(2-(2-pyridyl)ethyl)-, (e)-

Structural Information

Molecular Formula
C18H22N6O2
SMILES
C1=CC=NC(=C1)CCNC(=O)N/C=C/NC(=O)NCCC2=CC=CC=N2
InChI
InChI=1S/C18H22N6O2/c25-17(21-11-7-15-5-1-3-9-19-15)23-13-14-24-18(26)22-12-8-16-6-2-4-10-20-16/h1-6,9-10,13-14H,7-8,11-12H2,(H2,21,23,25)(H2,22,24,26)/b14-13+
InChIKey
DEERCSYBVDFLEY-BUHFOSPRSA-N
Compound name
1-(2-pyridin-2-ylethyl)-3-[(E)-2-(2-pyridin-2-ylethylcarbamoylamino)ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.18042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.187696 181.9
[M+Na]+ 377.169638 183.6
[M-H]- 353.173144 184.8
[M+NH4]+ 372.214243 189.9
[M+K]+ 393.143578 179.0
[M+H-H2O]+ 337.177680 170.5
[M+HCOO]- 399.178621 205.5
[M+CH3COO]- 413.194271 220.0
[M+Na-2H]- 375.155086 188.3
[M]+ 354.17987142 179.6
[M]- 354.18096858 179.6
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.