CID 5272035

Chembl304094

Structural Information

Molecular Formula

C₁₇H₁₇N₅

SMILES

CC(C)N1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C17H17N5/c1-12(2)22-16-10-6-5-9-15(16)18-17(22)11-21-19-13-7-3-4-8-14(13)20-21/h3-10,12H,11H2,1-2H3

InChIKey

QCRFUFPJGJIKSJ-UHFFFAOYSA-N

Compound name

2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.1484 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.155676	169.2
[M+Na]+	314.137618	181.4
[M-H]-	290.141124	172.9
[M+NH4]+	309.182223	183.7
[M+K]+	330.111558	175.0
[M+H-H2O]+	274.145660	158.8
[M+HCOO]-	336.146601	188.6
[M+CH3COO]-	350.162251	180.8
[M+Na-2H]-	312.123066	173.5
[M]+	291.14785142	174.3
[M]-	291.14894858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.