CID 44193892

Alb-127158(a)

Structural Information

Molecular Formula
C23H21FN4O2
SMILES
CN1C2=C(CNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)F
InChI
InChI=1S/C23H21FN4O2/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16/h2-5,7,9-12,25H,6,8,13-14H2,1H3
InChIKey
VUUUHLIHQHVLLE-UHFFFAOYSA-N
Compound name
4-[(5-fluoropyridin-2-yl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

326
Patents

404.16486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17214 199.3
[M+Na]+ 427.15408 209.5
[M-H]- 403.15758 203.6
[M+NH4]+ 422.19868 207.4
[M+K]+ 443.12802 200.2
[M+H-H2O]+ 387.16212 186.0
[M+HCOO]- 449.16306 212.6
[M+CH3COO]- 463.17871 207.3
[M+Na-2H]- 425.13953 200.7
[M]+ 404.16431 198.9
[M]- 404.16541 198.9
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