CID 65708

Procodazole

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CCC(=O)O
InChI
InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
XYWJNTOURDMTPI-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

4673
Patents

190.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.0
[M+Na]+ 213.06345 148.3
[M-H]- 189.06695 138.7
[M+NH4]+ 208.10805 157.4
[M+K]+ 229.03739 144.3
[M+H-H2O]+ 173.07149 132.3
[M+HCOO]- 235.07243 159.3
[M+CH3COO]- 249.08808 176.9
[M+Na-2H]- 211.04890 145.4
[M]+ 190.07368 139.5
[M]- 190.07478 139.5
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