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 163.9
[M+Na]+ 290.16277 171.2
[M-H]- 266.16627 169.5
[M+NH4]+ 285.20737 180.3
[M+K]+ 306.13671 165.0
[M+H-H2O]+ 250.17081 155.0
[M+HCOO]- 312.17175 183.1
[M+CH3COO]- 326.18740 174.7
[M+Na-2H]- 288.14822 166.1
[M]+ 267.17300 158.6
[M]- 267.17410 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