CID 9575480

4-bromo-n-[(e)-heptylideneamino]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CCCCCC/C=N/NC(=O)C1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C14H19BrN2O2/c1-2-3-4-5-6-9-16-17-14(19)12-8-7-11(15)10-13(12)18/h7-10,18H,2-6H2,1H3,(H,17,19)/b16-9+
InChIKey
YTBVHWIFEYACDJ-CXUHLZMHSA-N
Compound name
4-bromo-N-[(E)-heptylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.063 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.070276 168.0
[M+Na]+ 349.052218 176.4
[M-H]- 325.055724 173.4
[M+NH4]+ 344.096823 185.3
[M+K]+ 365.026158 163.9
[M+H-H2O]+ 309.060260 165.4
[M+HCOO]- 371.061201 189.8
[M+CH3COO]- 385.076851 209.1
[M+Na-2H]- 347.037666 172.2
[M]+ 326.06245142 187.6
[M]- 326.06354858 187.6
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

No patent data available for this compound.