CID 13292

841-16-7

Structural Information

Molecular Formula
C14H23N3O
SMILES
CC(C)NC(=NC(C)C)NOCC1=CC=CC=C1
InChI
InChI=1S/C14H23N3O/c1-11(2)15-14(16-12(3)4)17-18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H2,15,16,17)
InChIKey
IGWDTKMCAUVQAP-UHFFFAOYSA-N
Compound name
1-phenylmethoxy-2,3-di(propan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

249.18411 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.191386 162.9
[M+Na]+ 272.173328 165.6
[M-H]- 248.176834 167.0
[M+NH4]+ 267.217933 179.6
[M+K]+ 288.147268 164.8
[M+H-H2O]+ 232.181370 154.8
[M+HCOO]- 294.182311 187.7
[M+CH3COO]- 308.197961 205.6
[M+Na-2H]- 270.158776 165.9
[M]+ 249.18356142 162.7
[M]- 249.18465858 162.7
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