CID 2997948

522606-67-3

Structural Information

Molecular Formula

C₁₇H₂₁N₇

SMILES

C1CCN(C1)C2=NC(=C3C(=C2)C(=C(N=C3N)N4CCCC4)C#N)N

InChI

InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)

InChIKey

SSWVPYMSHHEYAB-UHFFFAOYSA-N

Compound name

1,8-diamino-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 323.18585 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.193126	173.9
[M+Na]+	346.175068	182.1
[M-H]-	322.178574	175.9
[M+NH4]+	341.219673	184.0
[M+K]+	362.149008	173.9
[M+H-H2O]+	306.183110	156.2
[M+HCOO]-	368.184051	186.1
[M+CH3COO]-	382.199701	180.8
[M+Na-2H]-	344.160516	171.6
[M]+	323.18530142	162.3
[M]-	323.18639858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe