CID 23136118

Einecs 289-417-9

Structural Information

Molecular Formula
C21H28N4O4
SMILES
CC(C)(C1=CC=C(C=C1)OCCC(=O)NN)C2=CC=C(C=C2)OCCC(=O)NN
InChI
InChI=1S/C21H28N4O4/c1-21(2,15-3-7-17(8-4-15)28-13-11-19(26)24-22)16-5-9-18(10-6-16)29-14-12-20(27)25-23/h3-10H,11-14,22-23H2,1-2H3,(H,24,26)(H,25,27)
InChIKey
YKSZMVCZMGLZSJ-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(3-hydrazinyl-3-oxopropoxy)phenyl]propan-2-yl]phenoxy]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

400.21106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.218336 195.5
[M+Na]+ 423.200278 197.2
[M-H]- 399.203784 200.4
[M+NH4]+ 418.244883 204.1
[M+K]+ 439.174218 194.8
[M+H-H2O]+ 383.208320 185.7
[M+HCOO]- 445.209261 217.8
[M+CH3COO]- 459.224911 232.7
[M+Na-2H]- 421.185726 197.1
[M]+ 400.21051142 195.2
[M]- 400.21160858 195.2
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

patents stripe