CID 204547

Brn 0422417

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]pyridin-2-yl]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]+ 252.14551 158.2
[M+Na]+ 274.12745 165.1
[M+NH4]+ 269.17205 163.1
[M+K]+ 290.10139 161.2
[M-H]- 250.13095 159.6
[M+Na-2H]- 272.11290 162.4
[M]+ 251.13768 158.8
[M]- 251.13878 158.8
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.