CID 5272003

Chembl67725

Structural Information

Molecular Formula
C21H26N6
SMILES
CCN(CC)CCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H26N6/c1-3-25(4-2)14-9-15-26-19-12-7-5-10-17(19)22-21(26)16-27-20-13-8-6-11-18(20)23-24-27/h5-8,10-13H,3-4,9,14-16H2,1-2H3
InChIKey
RPFDRMGQUCUZCI-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.2219 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22918 189.2
[M+Na]+ 385.21112 199.0
[M-H]- 361.21462 193.4
[M+NH4]+ 380.25572 201.1
[M+K]+ 401.18506 192.5
[M+H-H2O]+ 345.21916 177.3
[M+HCOO]- 407.22010 209.7
[M+CH3COO]- 421.23575 199.1
[M+Na-2H]- 383.19657 192.7
[M]+ 362.22135 196.7
[M]- 362.22245 196.7
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.