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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 145.9
[M+Na]+ 238.10632 155.4
[M-H]- 214.10982 146.8
[M+NH4]+ 233.15092 162.3
[M+K]+ 254.08026 149.8
[M+H-H2O]+ 198.11436 137.1
[M+HCOO]- 260.11530 165.6
[M+CH3COO]- 274.13095 157.5
[M+Na-2H]- 236.09177 151.1
[M]+ 215.11655 143.1
[M]- 215.11765 143.1
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.