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]+ 239.150246 155.3
[M+Na]+ 261.132188 159.7
[M-H]- 237.135694 155.8
[M+NH4]+ 256.176793 170.3
[M+K]+ 277.106128 158.3
[M+H-H2O]+ 221.140230 147.4
[M+HCOO]- 283.141171 172.6
[M+CH3COO]- 297.156821 193.2
[M+Na-2H]- 259.117636 159.2
[M]+ 238.14242142 152.1
[M]- 238.14351858 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.