CID 3079177

Alpha-((bis(2-methylpropyl)amino)methyl)-4-chloro-gamma-hydroxybenzenebutanoic acid hydrazide

Structural Information

Molecular Formula
C19H32ClN3O2
SMILES
CC(C)CN(CC(C)C)CC(CC(C1=CC=C(C=C1)Cl)O)C(=O)NN
InChI
InChI=1S/C19H32ClN3O2/c1-13(2)10-23(11-14(3)4)12-16(19(25)22-21)9-18(24)15-5-7-17(20)8-6-15/h5-8,13-14,16,18,24H,9-12,21H2,1-4H3,(H,22,25)
InChIKey
ZFURMIQXQIBYKD-UHFFFAOYSA-N
Compound name
2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2183 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22558 195.2
[M+Na]+ 392.20752 196.2
[M-H]- 368.21102 197.0
[M+NH4]+ 387.25212 206.9
[M+K]+ 408.18146 193.6
[M+H-H2O]+ 352.21556 188.2
[M+HCOO]- 414.21650 209.3
[M+CH3COO]- 428.23215 228.5
[M+Na-2H]- 390.19297 189.5
[M]+ 369.21775 196.6
[M]- 369.21885 196.6
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.