CID 101940285

Men-11149

Structural Information

Molecular Formula
C38H40N4O3
SMILES
CC1=CC=C(C=C1)CC(=O)N(C)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCC[C@@H]4NC(=O)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C38H40N4O3/c1-25-15-17-26(18-16-25)23-36(43)42(2)35(22-27-19-20-28-9-3-4-10-29(28)21-27)41-37(44)31-12-6-8-14-34(31)40-38(45)32-24-39-33-13-7-5-11-30(32)33/h3-5,7,9-11,13,15-21,24,31,34-35,39H,6,8,12,14,22-23H2,1-2H3,(H,40,45)(H,41,44)/t31-,34+,35?/m1/s1
InChIKey
DTPDRMYRFVVGJZ-SKZJHLMYSA-N
Compound name
N-[(1S,2R)-2-[[1-[methyl-[2-(4-methylphenyl)acetyl]amino]-2-naphthalen-2-ylethyl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

600.31006 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.31734 240.7
[M+Na]+ 623.29928 238.1
[M-H]- 599.30278 251.0
[M+NH4]+ 618.34388 242.2
[M+K]+ 639.27322 232.7
[M+H-H2O]+ 583.30732 227.9
[M+HCOO]- 645.30826 253.6
[M+CH3COO]- 659.32391 243.4
[M+Na-2H]- 621.28473 237.2
[M]+ 600.30951 236.6
[M]- 600.31061 236.6
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