CID 104606430

1921374-52-8

Structural Information

Molecular Formula
C14H16FN5
SMILES
C1CN(CCN1C2=CC=C(C=C2)N)C3=NC=C(C=N3)F
InChI
InChI=1S/C14H16FN5/c15-11-9-17-14(18-10-11)20-7-5-19(6-8-20)13-3-1-12(16)2-4-13/h1-4,9-10H,5-8,16H2
InChIKey
BORPSRPAFAGGQR-UHFFFAOYSA-N
Compound name
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

273.13898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14626 165.3
[M+Na]+ 296.12820 172.4
[M-H]- 272.13170 167.4
[M+NH4]+ 291.17280 174.9
[M+K]+ 312.10214 166.0
[M+H-H2O]+ 256.13624 152.6
[M+HCOO]- 318.13718 180.5
[M+CH3COO]- 332.15283 174.2
[M+Na-2H]- 294.11365 169.5
[M]+ 273.13843 158.0
[M]- 273.13953 158.0
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