CID 16227665

1h-1,3-benzodiazol-5-yl(phenyl)methanamine dihydrochloride

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)N
InChI
InChI=1S/C14H13N3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-9,14H,15H2,(H,16,17)
InChIKey
CSGGYTQFKDJKFI-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 149.1
[M+Na]+ 246.10017 163.4
[M+NH4]+ 241.14477 158.0
[M+K]+ 262.07411 157.7
[M-H]- 222.10367 153.3
[M+Na-2H]- 244.08562 158.4
[M]+ 223.11040 152.3
[M]- 223.11150 152.3
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.

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No patent data available for this compound.