CID 128144

Fr 64822

Structural Information

Molecular Formula
C11H14N4O
SMILES
C1CN(CC=C1)NC(=O)NC2=CC=NC=C2
InChI
InChI=1S/C11H14N4O/c16-11(13-10-4-6-12-7-5-10)14-15-8-2-1-3-9-15/h1-2,4-7H,3,8-9H2,(H2,12,13,14,16)
InChIKey
QKXWNCGIAHHUNW-UHFFFAOYSA-N
Compound name
1-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

218.11676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 147.4
[M+Na]+ 241.10598 151.6
[M-H]- 217.10948 150.6
[M+NH4]+ 236.15058 161.8
[M+K]+ 257.07992 148.8
[M+H-H2O]+ 201.11402 137.9
[M+HCOO]- 263.11496 168.8
[M+CH3COO]- 277.13061 189.6
[M+Na-2H]- 239.09143 155.1
[M]+ 218.11621 142.1
[M]- 218.11731 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe