CID 23136118

88515-85-9

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

8
Patents

400.21106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21834 195.5
[M+Na]+ 423.20028 197.2
[M-H]- 399.20378 200.4
[M+NH4]+ 418.24488 204.1
[M+K]+ 439.17422 194.8
[M+H-H2O]+ 383.20832 185.7
[M+HCOO]- 445.20926 217.8
[M+CH3COO]- 459.22491 232.7
[M+Na-2H]- 421.18573 197.1
[M]+ 400.21051 195.2
[M]- 400.21161 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