CID 121230893

1-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]-n-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide

Structural Information

Molecular Formula
C29H37N5O3
SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N
InChI
InChI=1S/C29H37N5O3/c1-3-28(22(2)37-21-23-7-5-4-6-8-23)34(30)29(36)31-24-9-11-25(12-10-24)32-17-19-33(20-18-32)26-13-15-27(35)16-14-26/h4-16,22,28,35H,3,17-21,30H2,1-2H3,(H,31,36)/t22-,28-/m0/s1
InChIKey
OYVWMWMSNMDYQC-DWACAAAGSA-N
Compound name
1-amino-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1-[(2S,3S)-2-phenylmethoxypentan-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.28964 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.29692 221.1
[M+Na]+ 526.27886 219.0
[M-H]- 502.28236 228.4
[M+NH4]+ 521.32346 221.9
[M+K]+ 542.25280 215.0
[M+H-H2O]+ 486.28690 207.6
[M+HCOO]- 548.28784 235.0
[M+CH3COO]- 562.30349 250.8
[M+Na-2H]- 524.26431 218.7
[M]+ 503.28909 215.9
[M]- 503.29019 215.9
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.