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 157.3
[M+Na]+ 274.12745 161.5
[M-H]- 250.13095 159.5
[M+NH4]+ 269.17205 171.8
[M+K]+ 290.10139 160.0
[M+H-H2O]+ 234.13549 148.7
[M+HCOO]- 296.13643 182.9
[M+CH3COO]- 310.15208 203.1
[M+Na-2H]- 272.11290 162.8
[M]+ 251.13768 155.6
[M]- 251.13878 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.