CID 3063380

N-(1-methylethyl)-n'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)urea

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)NC(=O)NCC1C2=C(CCO1)NC=N2
InChI
InChI=1S/C11H18N4O2/c1-7(2)15-11(16)12-5-9-10-8(3-4-17-9)13-6-14-10/h6-7,9H,3-5H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKey
ONDXXYMONVSBFK-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 155.3
[M+Na]+ 261.13219 159.7
[M-H]- 237.13569 155.8
[M+NH4]+ 256.17679 170.3
[M+K]+ 277.10613 158.3
[M+H-H2O]+ 221.14023 147.4
[M+HCOO]- 283.14117 172.6
[M+CH3COO]- 297.15682 193.2
[M+Na-2H]- 259.11764 159.2
[M]+ 238.14242 152.1
[M]- 238.14352 152.1
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.