CID 155971128

2-[5-(2-methoxyphenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H17N3O
SMILES
COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C16H17N3O/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKey
BUFXKEFUIFJLPB-UHFFFAOYSA-N
Compound name
2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

267.13718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 161.0
[M+Na]+ 290.12640 170.6
[M-H]- 266.12990 165.1
[M+NH4]+ 285.17100 176.8
[M+K]+ 306.10034 164.4
[M+H-H2O]+ 250.13444 152.5
[M+HCOO]- 312.13538 183.3
[M+CH3COO]- 326.15103 172.8
[M+Na-2H]- 288.11185 166.4
[M]+ 267.13663 162.0
[M]- 267.13773 162.0
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.