CID 3063054

99700-11-5

Structural Information

Molecular Formula
C19H25N5O
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=NC)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H25N5O/c1-3-24-13-22-16-11-14(9-10-17(16)24)12-21-19(20-2)23-18(25)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H2,20,21,23,25)
InChIKey
NEQIMTFVLZLAFX-UHFFFAOYSA-N
Compound name
N-[N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-N'-methylcarbamimidoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2059 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21318 181.6
[M+Na]+ 362.19512 184.9
[M-H]- 338.19862 187.0
[M+NH4]+ 357.23972 194.6
[M+K]+ 378.16906 180.9
[M+H-H2O]+ 322.20316 171.2
[M+HCOO]- 384.20410 202.6
[M+CH3COO]- 398.21975 219.8
[M+Na-2H]- 360.18057 184.1
[M]+ 339.20535 179.2
[M]- 339.20645 179.2
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.