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

0
Patents

249.18411 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 162.9
[M+Na]+ 272.17333 165.6
[M-H]- 248.17683 167.0
[M+NH4]+ 267.21793 179.6
[M+K]+ 288.14727 164.8
[M+H-H2O]+ 232.18137 154.8
[M+HCOO]- 294.18231 187.7
[M+CH3COO]- 308.19796 205.6
[M+Na-2H]- 270.15878 165.9
[M]+ 249.18356 162.7
[M]- 249.18466 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