CID 29901

19996-92-0

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CN1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23N3O2/c1-21-13-12-17(14-21)22(16-6-4-3-5-7-16)19(23)20-15-8-10-18(24-2)11-9-15/h3-11,17H,12-14H2,1-2H3,(H,20,23)
InChIKey
UBMSYGMDGFHZOS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-(1-methylpyrrolidin-3-yl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 177.3
[M+Na]+ 348.16824 180.9
[M-H]- 324.17174 186.6
[M+NH4]+ 343.21284 191.1
[M+K]+ 364.14218 178.1
[M+H-H2O]+ 308.17628 167.2
[M+HCOO]- 370.17722 200.2
[M+CH3COO]- 384.19287 214.4
[M+Na-2H]- 346.15369 178.4
[M]+ 325.17847 176.0
[M]- 325.17957 176.0
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.