CID 2747682

Ns00096838

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC(=NNC(=O)NCC1=CC=CC=C1)C
InChI
InChI=1S/C11H15N3O/c1-9(2)13-14-11(15)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14,15)
InChIKey
RIBQMWQHRBZVMP-UHFFFAOYSA-N
Compound name
1-benzyl-3-(propan-2-ylideneamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

205.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 147.1
[M+Na]+ 228.110718 151.6
[M-H]- 204.114224 151.7
[M+NH4]+ 223.155323 165.6
[M+K]+ 244.084658 150.4
[M+H-H2O]+ 188.118760 139.6
[M+HCOO]- 250.119701 174.1
[M+CH3COO]- 264.135351 194.8
[M+Na-2H]- 226.096166 153.0
[M]+ 205.12095142 145.8
[M]- 205.12204858 145.8
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.