CID 5273422

Chembl182631

Structural Information

Molecular Formula
C25H23F2N5
SMILES
C1CCCC(CC1)NC2=NC=NC3=C2N=C(C(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H23F2N5/c26-18-11-7-16(8-12-18)21-22(17-9-13-19(27)14-10-17)32-25-23(31-21)24(28-15-29-25)30-20-5-3-1-2-4-6-20/h7-15,20H,1-6H2,(H,28,29,30,32)
InChIKey
CVWRSOSLDGBTDM-UHFFFAOYSA-N
Compound name
N-cycloheptyl-6,7-bis(4-fluorophenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.19214 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19942 207.8
[M+Na]+ 454.18136 214.2
[M-H]- 430.18486 213.6
[M+NH4]+ 449.22596 211.6
[M+K]+ 470.15530 209.0
[M+H-H2O]+ 414.18940 191.7
[M+HCOO]- 476.19034 219.3
[M+CH3COO]- 490.20599 213.4
[M+Na-2H]- 452.16681 209.9
[M]+ 431.19159 198.6
[M]- 431.19269 198.6
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

No patent data available for this compound.