CID 14014367

N'-(1-methylazepan-4-yl)benzohydrazide

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN1CCCC(CC1)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H21N3O/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)
InChIKey
HJCSHXABAVJCGJ-UHFFFAOYSA-N
Compound name
N'-(1-methylazepan-4-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

247.16846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.3
[M+Na]+ 270.15768 167.2
[M+NH4]+ 265.20228 166.0
[M+K]+ 286.13162 162.5
[M-H]- 246.16118 162.9
[M+Na-2H]- 268.14313 165.5
[M]+ 247.16791 161.2
[M]- 247.16901 161.2
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

patents stripe