CID 205687

18471-34-6

Structural Information

Molecular Formula
C14H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCNC2
InChI
InChI=1S/C14H21N3O4/c1-19-11-6-10(7-12(20-2)13(11)21-3)17-14(18)16-9-4-5-15-8-9/h6-7,9,15H,4-5,8H2,1-3H3,(H2,16,17,18)
InChIKey
KHQVZQWUQCNGNN-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 166.6
[M+Na]+ 318.14242 171.1
[M-H]- 294.14592 170.5
[M+NH4]+ 313.18702 181.0
[M+K]+ 334.11636 169.2
[M+H-H2O]+ 278.15046 158.3
[M+HCOO]- 340.15140 188.1
[M+CH3COO]- 354.16705 203.6
[M+Na-2H]- 316.12787 167.8
[M]+ 295.15265 166.2
[M]- 295.15375 166.2
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