CID 382345

Nsc669814

Structural Information

Molecular Formula
C35H42N6O8
SMILES
CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C35H42N6O8/c1-22(30(43)37-21-29(42)39-28(32(45)41-36)19-23-11-7-5-8-12-23)38-31(44)27(40-34(47)49-35(2,3)4)20-24-15-17-26(18-16-24)48-33(46)25-13-9-6-10-14-25/h5-18,22,27-28H,19-21,36H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,40,47)(H,41,45)
InChIKey
YXJRICXAHUTPCI-UHFFFAOYSA-N
Compound name
[4-[3-[[1-[[2-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.3064 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.31368 252.1
[M+Na]+ 697.29562 255.9
[M-H]- 673.29912 255.8
[M+NH4]+ 692.34022 256.1
[M+K]+ 713.26956 248.5
[M+H-H2O]+ 657.30366 242.5
[M+HCOO]- 719.30460 257.2
[M+CH3COO]- 733.32025 287.3
[M+Na-2H]- 695.28107 285.8
[M]+ 674.30585 292.3
[M]- 674.30695 292.3
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.