CID 453406

(5-fluoro-1h-indol-2-yl)-[4-[4-(isopropylamino)pyridazin-3-yl]piperazin-1-yl]methanone

Structural Information

Molecular Formula
C20H23FN6O
SMILES
CC(C)NC1=C(N=NC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C20H23FN6O/c1-13(2)23-17-5-6-22-25-19(17)26-7-9-27(10-8-26)20(28)18-12-14-11-15(21)3-4-16(14)24-18/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,23)
InChIKey
UTVNMWNDIORVOO-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)-[4-[4-(propan-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19902 191.9
[M+Na]+ 405.18096 198.3
[M-H]- 381.18446 193.5
[M+NH4]+ 400.22556 198.1
[M+K]+ 421.15490 190.7
[M+H-H2O]+ 365.18900 179.0
[M+HCOO]- 427.18994 203.2
[M+CH3COO]- 441.20559 198.6
[M+Na-2H]- 403.16641 191.9
[M]+ 382.19119 187.4
[M]- 382.19229 187.4
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.