CID 57656569

864267-63-0

Structural Information

Molecular Formula
C13H15BrN2O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CCCBr
InChI
InChI=1S/C13H15BrN2O/c1-10(2)16-12-7-4-3-6-11(12)15(13(16)17)9-5-8-14/h3-4,6-7H,1,5,8-9H2,2H3
InChIKey
VZEWYKAZNBYIRM-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-3-prop-1-en-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

294.03677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04405 158.1
[M+Na]+ 317.02599 172.1
[M-H]- 293.02949 163.5
[M+NH4]+ 312.07059 178.2
[M+K]+ 332.99993 159.7
[M+H-H2O]+ 277.03403 157.4
[M+HCOO]- 339.03497 178.1
[M+CH3COO]- 353.05062 199.8
[M+Na-2H]- 315.01144 163.4
[M]+ 294.03622 180.4
[M]- 294.03732 180.4
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