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
6
Annotation Hits

4425
References

42561
Patents

301.05212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 166.5
[M+Na]+ 324.04134 176.2
[M-H]- 300.04484 172.1
[M+NH4]+ 319.08594 183.3
[M+K]+ 340.01528 172.1
[M+H-H2O]+ 284.04938 159.9
[M+HCOO]- 346.05032 184.9
[M+CH3COO]- 360.06597 178.5
[M+Na-2H]- 322.02679 167.5
[M]+ 301.05157 171.1
[M]- 301.05267 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe