CID 29184

Guanidine, 1-(2-(2-methyldiphenylmethoxy)ethyl)-, hydrogen fumarate

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN=C(N)N
InChI
InChI=1S/C17H21N3O/c1-13-7-5-6-10-15(13)16(14-8-3-2-4-9-14)21-12-11-20-17(18)19/h2-10,16H,11-12H2,1H3,(H4,18,19,20)
InChIKey
WRCJJKGGZVIJIT-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.4
[M+Na]+ 306.157678 172.2
[M-H]- 282.161184 174.8
[M+NH4]+ 301.202283 182.9
[M+K]+ 322.131618 168.7
[M+H-H2O]+ 266.165720 159.3
[M+HCOO]- 328.166661 193.4
[M+CH3COO]- 342.182311 210.7
[M+Na-2H]- 304.143126 171.2
[M]+ 283.16791142 166.0
[M]- 283.16900858 166.0
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.