CID 216497

R 974

Structural Information

Molecular Formula
C25H34N2O
SMILES
CC(C)N(C1CCCCC1)C(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O/c1-19(2)27(23-17-11-6-12-18-23)20(3)25(28)26-24(21-13-7-4-8-14-21)22-15-9-5-10-16-22/h4-5,7-10,13-16,19-20,23-24H,6,11-12,17-18H2,1-3H3,(H,26,28)
InChIKey
DGLDUVMHHOWBRT-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-[cyclohexyl(propan-2-yl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.26712 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.27440 196.1
[M+Na]+ 401.25634 193.4
[M-H]- 377.25984 204.1
[M+NH4]+ 396.30094 206.0
[M+K]+ 417.23028 190.6
[M+H-H2O]+ 361.26438 185.6
[M+HCOO]- 423.26532 212.5
[M+CH3COO]- 437.28097 228.9
[M+Na-2H]- 399.24179 193.2
[M]+ 378.26657 190.0
[M]- 378.26767 190.0
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.