CID 204547

Urea, 1,1'-(2,6-pyridylidenedimethylene)bis(3-methyl-

Structural Information

Molecular Formula
C11H17N5O2
SMILES
CNC(=O)NCC1=NC(=CC=C1)CNC(=O)NC
InChI
InChI=1S/C11H17N5O2/c1-12-10(17)14-6-8-4-3-5-9(16-8)7-15-11(18)13-2/h3-5H,6-7H2,1-2H3,(H2,12,14,17)(H2,13,15,18)
InChIKey
BFWYHNCIUCKQDC-UHFFFAOYSA-N
Compound name
1-methyl-3-[[6-[(methylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13823 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.145506 157.3
[M+Na]+ 274.127448 161.5
[M-H]- 250.130954 159.5
[M+NH4]+ 269.172053 171.8
[M+K]+ 290.101388 160.0
[M+H-H2O]+ 234.135490 148.7
[M+HCOO]- 296.136431 182.9
[M+CH3COO]- 310.152081 203.1
[M+Na-2H]- 272.112896 162.8
[M]+ 251.13768142 155.6
[M]- 251.13877858 155.6
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.