CID 6509880

50529-09-4

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 163.3
[M+Na]+ 300.13186 169.4
[M-H]- 276.13536 170.1
[M+NH4]+ 295.17646 180.0
[M+K]+ 316.10580 167.8
[M+H-H2O]+ 260.13990 154.9
[M+HCOO]- 322.14084 187.9
[M+CH3COO]- 336.15649 204.6
[M+Na-2H]- 298.11731 165.1
[M]+ 277.14209 164.4
[M]- 277.14319 164.4
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