CID 3039683

50992-77-3

Structural Information

Molecular Formula
C14H23N3O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CNC(=O)N)O
InChI
InChI=1S/C14H23N3O3/c1-10(2)16-8-12(18)9-20-13-5-3-11(4-6-13)7-17-14(15)19/h3-6,10,12,16,18H,7-9H2,1-2H3,(H3,15,17,19)
InChIKey
ZZPUFSVPPCJXTH-UHFFFAOYSA-N
Compound name
[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.17395 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18123 168.2
[M+Na]+ 304.16317 174.2
[M+NH4]+ 299.20777 173.0
[M+K]+ 320.13711 170.9
[M-H]- 280.16667 168.9
[M+Na-2H]- 302.14862 170.6
[M]+ 281.17340 168.6
[M]- 281.17450 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.