CID 30601

4'-bromo-2-diallylaminoacetanilide

Structural Information

Molecular Formula
C14H17BrN2O
SMILES
C=CCN(CC=C)CC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C14H17BrN2O/c1-3-9-17(10-4-2)11-14(18)16-13-7-5-12(15)6-8-13/h3-8H,1-2,9-11H2,(H,16,18)
InChIKey
KVVHQLBNPLIICJ-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-enyl)amino]-N-(4-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05243 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05971 164.4
[M+Na]+ 331.04165 172.6
[M-H]- 307.04515 171.0
[M+NH4]+ 326.08625 182.7
[M+K]+ 347.01559 160.3
[M+H-H2O]+ 291.04969 162.0
[M+HCOO]- 353.05063 186.7
[M+CH3COO]- 367.06628 209.0
[M+Na-2H]- 329.02710 168.6
[M]+ 308.05188 183.1
[M]- 308.05298 183.1
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