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

2
Patents

267.17355 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 164.7
[M+Na]+ 290.16277 177.8
[M+NH4]+ 285.20737 174.4
[M+K]+ 306.13671 170.1
[M-H]- 266.16627 170.2
[M+Na-2H]- 288.14822 174.7
[M]+ 267.17300 168.2
[M]- 267.17410 168.2
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

patents stripe