CID 117879891

Ak3287

Structural Information

Molecular Formula
C18H14F3N5O2
SMILES
CN1C=C(C=N1)C2=CN(C(=O)C3=C2N(C=N3)C)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C18H14F3N5O2/c1-24-10-22-15-16(24)14(11-7-23-25(2)8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3
InChIKey
ZJBCIWSBSPECFD-UHFFFAOYSA-N
Compound name
1-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

389.10995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11723 189.5
[M+Na]+ 412.09917 203.4
[M-H]- 388.10267 192.7
[M+NH4]+ 407.14377 199.3
[M+K]+ 428.07311 196.2
[M+H-H2O]+ 372.10721 176.8
[M+HCOO]- 434.10815 205.2
[M+CH3COO]- 448.12380 199.6
[M+Na-2H]- 410.08462 190.0
[M]+ 389.10940 192.5
[M]- 389.11050 192.5
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