CID 347363

1189869-04-2

Structural Information

Molecular Formula
C10H15N3O
SMILES
C1=CC=C(C=C1)NC(=O)NCCCN
InChI
InChI=1S/C10H15N3O/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H2,12,13,14)
InChIKey
CBYQZENFYCTUIA-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.1215 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 142.6
[M+Na]+ 216.110718 147.1
[M-H]- 192.114224 145.3
[M+NH4]+ 211.155323 160.6
[M+K]+ 232.084658 144.9
[M+H-H2O]+ 176.118760 135.4
[M+HCOO]- 238.119701 168.7
[M+CH3COO]- 252.135351 189.3
[M+Na-2H]- 214.096166 148.8
[M]+ 193.12095142 139.5
[M]- 193.12204858 139.5
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