CID 9868741

Povafonidine

Structural Information

Molecular Formula

C₁₁H₁₃N₅

SMILES

CC1=C(C=CC2=C1N=CN2)NC3=NCCN3

InChI

InChI=1S/C11H13N5/c1-7-8(16-11-12-4-5-13-11)2-3-9-10(7)15-6-14-9/h2-3,6H,4-5H2,1H3,(H,14,15)(H2,12,13,16)

InChIKey

KPMVPPWUQFJHCX-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 215.1171 Da
Monoisotopic Mass: 0.5
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]+	216.124376	145.9
[M+Na]+	238.106318	155.4
[M-H]-	214.109824	146.8
[M+NH4]+	233.150923	162.3
[M+K]+	254.080258	149.8
[M+H-H2O]+	198.114360	137.1
[M+HCOO]-	260.115301	165.6
[M+CH3COO]-	274.130951	157.5
[M+Na-2H]-	236.091766	151.1
[M]+	215.11655142	143.1
[M]-	215.11764858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe