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 164.1
[M+Na]+ 310.12742 168.9
[M-H]- 286.13092 167.4
[M+NH4]+ 305.17202 175.3
[M+K]+ 326.10136 165.3
[M+H-H2O]+ 270.13546 153.7
[M+HCOO]- 332.13640 188.0
[M+CH3COO]- 346.15205 206.0
[M+Na-2H]- 308.11287 171.1
[M]+ 287.13765 162.8
[M]- 287.13875 162.8
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