CID 6481621

3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanal

Structural Information

Molecular Formula
C17H15N5O
SMILES
C1=CC=C2C(=C1)N=C(N2CCC=O)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H15N5O/c23-11-5-10-21-15-8-3-1-6-13(15)18-17(21)12-22-16-9-4-2-7-14(16)19-20-22/h1-4,6-9,11H,5,10,12H2
InChIKey
INYZUIHIFYDODD-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.12766 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.134936 171.1
[M+Na]+ 328.116878 183.7
[M-H]- 304.120384 174.6
[M+NH4]+ 323.161483 184.9
[M+K]+ 344.090818 176.8
[M+H-H2O]+ 288.124920 160.4
[M+HCOO]- 350.125861 191.8
[M+CH3COO]- 364.141511 182.7
[M+Na-2H]- 326.102326 176.4
[M]+ 305.12711142 177.4
[M]- 305.12820858 177.4
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

patents stripe