CID 6481635

1,2-ethanediamine, n'-[2-[2-(2h-1,2,3-benzotriazol-2-ylmethyl)-1h-benzimidazol-1-yl]ethyl]-n,n-bis(1-methylethyl)-

Structural Information

Molecular Formula
C24H33N7
SMILES
CC(C)N(CCNCCN1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3)C(C)C
InChI
InChI=1S/C24H33N7/c1-18(2)29(19(3)4)15-13-25-14-16-30-23-12-8-7-11-22(23)26-24(30)17-31-27-20-9-5-6-10-21(20)28-31/h5-12,18-19,25H,13-17H2,1-4H3
InChIKey
BGQZHUGXVXSIIL-UHFFFAOYSA-N
Compound name
N-[2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.27975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.28703 204.4
[M+Na]+ 442.26897 211.0
[M-H]- 418.27247 208.7
[M+NH4]+ 437.31357 213.5
[M+K]+ 458.24291 205.3
[M+H-H2O]+ 402.27701 192.3
[M+HCOO]- 464.27795 223.0
[M+CH3COO]- 478.29360 212.4
[M+Na-2H]- 440.25442 205.7
[M]+ 419.27920 211.2
[M]- 419.28030 211.2
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.