CID 6509880

Brn 0426371

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CN\1CCC/C1=N/C(=O)NC2=C(C=CC=C2OC)OC
InChI
InChI=1S/C14H19N3O3/c1-17-9-5-8-12(17)15-14(18)16-13-10(19-2)6-4-7-11(13)20-3/h4,6-7H,5,8-9H2,1-3H3,(H,16,18)/b15-12-
InChIKey
XNXGOOWNXYMYJG-QINSGFPZSA-N
Compound name
(3Z)-1-(2,6-dimethoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.0
[M+Na]+ 300.13186 174.2
[M+NH4]+ 295.17646 171.3
[M+K]+ 316.10580 170.8
[M-H]- 276.13536 167.8
[M+Na-2H]- 298.11731 169.9
[M]+ 277.14209 166.6
[M]- 277.14319 166.6
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

patents stripe