CID 468304

N-desisopropyl delavirdine

Structural Information

Molecular Formula
C19H22N6O3S
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)N
InChI
InChI=1S/C19H22N6O3S/c1-29(27,28)23-14-4-5-16-13(11-14)12-17(22-16)19(26)25-9-7-24(8-10-25)18-15(20)3-2-6-21-18/h2-6,11-12,22-23H,7-10,20H2,1H3
InChIKey
MTEFFPTUUPAKOV-UHFFFAOYSA-N
Compound name
N-[2-[4-(3-aminopyridin-2-yl)piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15468 191.4
[M+Na]+ 437.13662 201.9
[M+NH4]+ 432.18122 195.8
[M+K]+ 453.11056 197.8
[M-H]- 413.14012 194.1
[M+Na-2H]- 435.12207 197.4
[M]+ 414.14685 193.7
[M]- 414.14795 193.7
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

No patent data available for this compound.