CID 9679825

2-(4-bromophenoxy)-n'-(4-methylbenzylidene)propanohydrazide

Structural Information

Molecular Formula
C17H17BrN2O2
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)11-19-20-17(21)13(2)22-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11+
InChIKey
PTTSXPZHINUDJL-YBFXNURJSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.04733 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05461 176.0
[M+Na]+ 383.03655 184.2
[M-H]- 359.04005 185.8
[M+NH4]+ 378.08115 192.1
[M+K]+ 399.01049 172.7
[M+H-H2O]+ 343.04459 172.8
[M+HCOO]- 405.04553 198.7
[M+CH3COO]- 419.06118 216.6
[M+Na-2H]- 381.02200 180.4
[M]+ 360.04678 195.6
[M]- 360.04788 195.6
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

No patent data available for this compound.