CID 24994634

Jnj-39758979

Structural Information

Molecular Formula
C11H19N5
SMILES
CC(C)C1=CC(=NC(=N1)N)N2CC[C@H](C2)N
InChI
InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKey
COOGVHJHSCBOQT-MRVPVSSYSA-N
Compound name
4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

65
Patents

221.16405 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.17133 152.9
[M+Na]+ 244.15327 159.6
[M-H]- 220.15677 155.0
[M+NH4]+ 239.19787 168.2
[M+K]+ 260.12721 156.3
[M+H-H2O]+ 204.16131 143.8
[M+HCOO]- 266.16225 172.1
[M+CH3COO]- 280.17790 194.8
[M+Na-2H]- 242.13872 153.6
[M]+ 221.16350 147.7
[M]- 221.16460 147.7
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