CID 127917

N-desethylatevirdine

Structural Information

Molecular Formula
C19H21N5O2
SMILES
COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)N
InChI
InChI=1S/C19H21N5O2/c1-26-14-4-5-16-13(11-14)12-17(22-16)19(25)24-9-7-23(8-10-24)18-15(20)3-2-6-21-18/h2-6,11-12,22H,7-10,20H2,1H3
InChIKey
LZONHYLJPPDDNO-UHFFFAOYSA-N
Compound name
[4-(3-aminopyridin-2-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.16953 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 183.8
[M+Na]+ 374.15875 190.7
[M-H]- 350.16225 187.7
[M+NH4]+ 369.20335 192.4
[M+K]+ 390.13269 184.0
[M+H-H2O]+ 334.16679 172.4
[M+HCOO]- 396.16773 198.4
[M+CH3COO]- 410.18338 192.0
[M+Na-2H]- 372.14420 185.0
[M]+ 351.16898 180.3
[M]- 351.17008 180.3
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.