CID 10016910

Xl844

Structural Information

Molecular Formula
C14H17N5O2
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=NC=CN=C2)OCCCN
InChI
InChI=1S/C14H17N5O2/c15-6-3-9-21-12-5-2-1-4-11(12)18-14(20)19-13-10-16-7-8-17-13/h1-2,4-5,7-8,10H,3,6,9,15H2,(H2,17,18,19,20)
InChIKey
UVSSZSQSZGKMAL-UHFFFAOYSA-N
Compound name
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

287.1382 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14548 166.1
[M+Na]+ 310.12742 176.4
[M+NH4]+ 305.17202 171.7
[M+K]+ 326.10136 170.7
[M-H]- 286.13092 169.5
[M+Na-2H]- 308.11287 173.8
[M]+ 287.13765 168.1
[M]- 287.13875 168.1
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