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

1
Patents

295.1532 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 166.6
[M+Na]+ 318.142418 171.1
[M-H]- 294.145924 170.5
[M+NH4]+ 313.187023 181.0
[M+K]+ 334.116358 169.2
[M+H-H2O]+ 278.150460 158.3
[M+HCOO]- 340.151401 188.1
[M+CH3COO]- 354.167051 203.6
[M+Na-2H]- 316.127866 167.8
[M]+ 295.15265142 166.2
[M]- 295.15374858 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