CID 5272004

Chembl66020

Structural Information

Molecular Formula
C19H22N6
SMILES
CN(C)CCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H22N6/c1-23(2)12-7-13-24-17-10-5-3-8-15(17)20-19(24)14-25-18-11-6-4-9-16(18)21-22-25/h3-6,8-11H,7,12-14H2,1-2H3
InChIKey
PVBBPUXGECZDST-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.19058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19786 180.4
[M+Na]+ 357.17980 191.2
[M-H]- 333.18330 185.1
[M+NH4]+ 352.22440 193.5
[M+K]+ 373.15374 185.1
[M+H-H2O]+ 317.18784 168.9
[M+HCOO]- 379.18878 201.6
[M+CH3COO]- 393.20443 191.3
[M+Na-2H]- 355.16525 185.0
[M]+ 334.19003 187.3
[M]- 334.19113 187.3
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.