CID 135502796

1-methyl-1-(2-(2-methyldiphenylmethoxy)ethyl)guanidine hydrochloride

Structural Information

Molecular Formula
C18H24N3O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[N+](=C(N)N)C
InChI
InChI=1S/C18H23N3O/c1-14-8-6-7-11-16(14)17(15-9-4-3-5-10-15)22-13-12-21(2)18(19)20/h3-11,17H,12-13H2,1-2H3,(H3,19,20)/p+1
InChIKey
YHXNVRCBVIEUGC-UHFFFAOYSA-O
Compound name
diaminomethylidene-methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19193 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19921 174.5
[M+Na]+ 321.18115 177.3
[M-H]- 297.18465 181.0
[M+NH4]+ 316.22575 188.0
[M+K]+ 337.15509 168.7
[M+H-H2O]+ 281.18919 168.2
[M+HCOO]- 343.19013 197.8
[M+CH3COO]- 357.20578 207.3
[M+Na-2H]- 319.16660 177.7
[M]+ 298.19138 170.6
[M]- 298.19248 170.6
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

No patent data available for this compound.