CID 118115983

N-((3r,6s)-6-methylpiperidin-3-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H17N5
SMILES
C[C@H]1CC[C@H](CN1)NC2=NC=NC3=C2C=CN3
InChI
InChI=1S/C12H17N5/c1-8-2-3-9(6-14-8)17-12-10-4-5-13-11(10)15-7-16-12/h4-5,7-9,14H,2-3,6H2,1H3,(H2,13,15,16,17)/t8-,9+/m0/s1
InChIKey
QRZXLCPZJWWANB-DTWKUNHWSA-N
Compound name
N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

231.14839 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.155666 152.4
[M+Na]+ 254.137608 159.5
[M-H]- 230.141114 151.9
[M+NH4]+ 249.182213 166.0
[M+K]+ 270.111548 153.3
[M+H-H2O]+ 214.145650 142.8
[M+HCOO]- 276.146591 167.9
[M+CH3COO]- 290.162241 162.1
[M+Na-2H]- 252.123056 158.0
[M]+ 231.14784142 146.2
[M]- 231.14893858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe