CID 67454400

Ck-2127107

Structural Information

Molecular Formula
C19H18F2N6O
SMILES
C1C(CC1(CNC2=NC=C(C=N2)N3C=CC(=C3)C(=O)N)C4=C(C=CC=N4)F)F
InChI
InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)
InChIKey
MQXWPWOCXGARRK-UHFFFAOYSA-N
Compound name
1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

119
Patents

384.151 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15828 191.4
[M+Na]+ 407.14022 197.7
[M-H]- 383.14372 196.1
[M+NH4]+ 402.18482 193.6
[M+K]+ 423.11416 194.2
[M+H-H2O]+ 367.14826 172.2
[M+HCOO]- 429.14920 207.4
[M+CH3COO]- 443.16485 198.7
[M+Na-2H]- 405.12567 191.6
[M]+ 384.15045 195.7
[M]- 384.15155 195.7
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