CID 50989705

1-(3-phenylpropyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C16H17N3
SMILES
C1=CC=C(C=C1)CCCN2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C16H17N3/c17-16-18-14-10-4-5-11-15(14)19(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,17,18)
InChIKey
DLDXZUAAPRACGH-UHFFFAOYSA-N
Compound name
1-(3-phenylpropyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 157.3
[M+Na]+ 274.131458 166.5
[M-H]- 250.134964 162.2
[M+NH4]+ 269.176063 174.2
[M+K]+ 290.105398 160.5
[M+H-H2O]+ 234.139500 148.3
[M+HCOO]- 296.140441 180.8
[M+CH3COO]- 310.156091 169.5
[M+Na-2H]- 272.116906 163.7
[M]+ 251.14169142 158.2
[M]- 251.14278858 158.2
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.