CID 3038299

Brn 0455310

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]+ 355.18770 184.7
[M+Na]+ 377.16964 192.5
[M+NH4]+ 372.21424 188.5
[M+K]+ 393.14358 186.7
[M-H]- 353.17314 187.6
[M+Na-2H]- 375.15509 191.2
[M]+ 354.17987 185.9
[M]- 354.18097 185.9
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.