CID 3045823

Brn 0749464

Structural Information

Molecular Formula
C17H21N3
SMILES
CC1([C@H](C[C@H](N1)C2=CC=C(C=C2)N)C3=CC=NC=C3)C
InChI
InChI=1S/C17H21N3/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11,18H2,1-2H3/t15-,16+/m1/s1
InChIKey
MRFAXFHATZJJOL-CVEARBPZSA-N
Compound name
4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.17355 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 163.9
[M+Na]+ 290.162768 171.2
[M-H]- 266.166274 169.5
[M+NH4]+ 285.207373 180.3
[M+K]+ 306.136708 165.0
[M+H-H2O]+ 250.170810 155.0
[M+HCOO]- 312.171751 183.1
[M+CH3COO]- 326.187401 174.7
[M+Na-2H]- 288.148216 166.1
[M]+ 267.17300142 158.6
[M]- 267.17409858 158.6
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