CID 3056595

1-(2-((n-(2-methyldiphenylmethoxy)ethyl)-n-methylamino)ethyl)guanidine dihydrogenfumarate

Structural Information

Molecular Formula
C20H28N4O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)CCN=C(N)N
InChI
InChI=1S/C20H28N4O/c1-16-8-6-7-11-18(16)19(17-9-4-3-5-10-17)25-15-14-24(2)13-12-23-20(21)22/h3-11,19H,12-15H2,1-2H3,(H4,21,22,23)
InChIKey
PRQRXZGPXQTOOA-UHFFFAOYSA-N
Compound name
2-[2-[methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.22632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23360 185.6
[M+Na]+ 363.21554 187.3
[M-H]- 339.21904 192.8
[M+NH4]+ 358.26014 198.0
[M+K]+ 379.18948 184.8
[M+H-H2O]+ 323.22358 175.3
[M+HCOO]- 385.22452 211.1
[M+CH3COO]- 399.24017 228.2
[M+Na-2H]- 361.20099 186.6
[M]+ 340.22577 184.8
[M]- 340.22687 184.8
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.