CID 68260348

5-mpeg1-n-delavirdine

Structural Information

Molecular Formula
C24H32N6O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NCCOC
InChI
InChI=1S/C24H32N6O2/c1-17(2)27-21-5-4-8-26-23(21)29-10-12-30(13-11-29)24(31)22-16-18-15-19(25-9-14-32-3)6-7-20(18)28-22/h4-8,15-17,25,27-28H,9-14H2,1-3H3
InChIKey
CYBAYLQXPWFRNL-UHFFFAOYSA-N
Compound name
[5-(2-methoxyethylamino)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

436.25867 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26595 205.5
[M+Na]+ 459.24789 208.8
[M-H]- 435.25139 209.1
[M+NH4]+ 454.29249 210.4
[M+K]+ 475.22183 202.3
[M+H-H2O]+ 419.25593 193.3
[M+HCOO]- 481.25687 219.2
[M+CH3COO]- 495.27252 211.2
[M+Na-2H]- 457.23334 205.5
[M]+ 436.25812 203.5
[M]- 436.25922 203.5
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