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]+ 327.07028 168.0
[M+Na]+ 349.05222 176.4
[M-H]- 325.05572 173.4
[M+NH4]+ 344.09682 185.3
[M+K]+ 365.02616 163.9
[M+H-H2O]+ 309.06026 165.4
[M+HCOO]- 371.06120 189.8
[M+CH3COO]- 385.07685 209.1
[M+Na-2H]- 347.03767 172.2
[M]+ 326.06245 187.6
[M]- 326.06355 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.