CID 508916

2-amino-n-[2-[[(3r)-1-[[3-(dimethylamino)-4-methyl-phenyl]methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H30F3N5O2
SMILES
CC1=C(C=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N)N(C)C
InChI
InChI=1S/C24H30F3N5O2/c1-15-4-5-16(10-21(15)31(2)3)13-32-9-8-18(14-32)30-22(33)12-29-23(34)19-11-17(24(25,26)27)6-7-20(19)28/h4-7,10-11,18H,8-9,12-14,28H2,1-3H3,(H,29,34)(H,30,33)/t18-/m1/s1
InChIKey
KUPJUTRANAUQNR-GOSISDBHSA-N
Compound name
2-amino-N-[2-[[(3R)-1-[[3-(dimethylamino)-4-methylphenyl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.23517 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.24245 213.8
[M+Na]+ 500.22439 216.7
[M-H]- 476.22789 219.0
[M+NH4]+ 495.26899 221.1
[M+K]+ 516.19833 212.5
[M+H-H2O]+ 460.23243 201.3
[M+HCOO]- 522.23337 230.7
[M+CH3COO]- 536.24902 250.8
[M+Na-2H]- 498.20984 209.2
[M]+ 477.23462 208.2
[M]- 477.23572 208.2
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.