CID 4122

Nocodazole

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₃S

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

InChIKey

KYRVNWMVYQXFEU-UHFFFAOYSA-N

Compound name

methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4430
References: 40169
Patents: 301.05212 Da
Monoisotopic Mass: 2.8
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]+	302.059396	166.5
[M+Na]+	324.041338	176.2
[M-H]-	300.044844	172.1
[M+NH4]+	319.085943	183.3
[M+K]+	340.015278	172.1
[M+H-H2O]+	284.049380	159.9
[M+HCOO]-	346.050321	184.9
[M+CH3COO]-	360.065971	178.5
[M+Na-2H]-	322.026786	167.5
[M]+	301.05157142	171.1
[M]-	301.05266858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe