CID 165589625

2731014-49-4

Structural Information

Molecular Formula
C18H21N5O
SMILES
CN(C)C(=O)C1=CN=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C18H21N5O/c1-22(2)18(24)13-7-8-14(20-11-13)12-23-16-6-4-3-5-15(16)21-17(23)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKey
PIUUJHBZGYYJKI-UHFFFAOYSA-N
Compound name
6-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17462 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 176.6
[M+Na]+ 346.16384 189.5
[M+NH4]+ 341.20844 183.1
[M+K]+ 362.13778 184.7
[M-H]- 322.16734 180.3
[M+Na-2H]- 344.14929 183.9
[M]+ 323.17407 179.3
[M]- 323.17517 179.3
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.

Patent stripe

No patent data available for this compound.