CID 147894286

Votoplam

Structural Information

Molecular Formula
C21H25N9O
SMILES
CC1(CC(CC(N1)(C)C)N2C3=NN=C(C=C3N=N2)C4=C(C=C(C=C4)N5N=CC=N5)O)C
InChI
InChI=1S/C21H25N9O/c1-20(2)11-14(12-21(3,4)27-20)29-19-17(25-28-29)10-16(24-26-19)15-6-5-13(9-18(15)31)30-22-7-8-23-30/h5-10,14,27,31H,11-12H2,1-4H3
InChIKey
ICZNVPJUHBURBG-UHFFFAOYSA-N
Compound name
2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(triazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

419.2182 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22548 202.3
[M+Na]+ 442.20742 213.9
[M-H]- 418.21092 204.6
[M+NH4]+ 437.25202 207.4
[M+K]+ 458.18136 204.8
[M+H-H2O]+ 402.21546 188.7
[M+HCOO]- 464.21640 210.5
[M+CH3COO]- 478.23205 208.8
[M+Na-2H]- 440.19287 201.7
[M]+ 419.21765 201.8
[M]- 419.21875 201.8
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