CID 201290

Wy 930

Structural Information

Molecular Formula
C35H44N4O6
SMILES
CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N(C)C(C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C35H44N4O6/c1-34(2,23-27-13-9-7-10-14-27)36(5)31(40)25-38(21-22-45-33(42)29-17-19-30(20-18-29)39(43)44)26-32(41)37(6)35(3,4)24-28-15-11-8-12-16-28/h7-20H,21-26H2,1-6H3
InChIKey
NLEBINLOWOBZEU-UHFFFAOYSA-N
Compound name
2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.3261 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.33338 248.5
[M+Na]+ 639.31532 243.1
[M-H]- 615.31882 258.8
[M+NH4]+ 634.35992 245.4
[M+K]+ 655.28926 240.3
[M+H-H2O]+ 599.32336 240.3
[M+HCOO]- 661.32430 240.4
[M+CH3COO]- 675.33995 271.6
[M+Na-2H]- 637.30077 249.7
[M]+ 616.32555 252.2
[M]- 616.32665 252.2
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

No patent data available for this compound.