CID 141348660

Unii-l3mh0ff4yn

Structural Information

Molecular Formula
C22H21N7O
SMILES
CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C22H21N7O/c1-29-18-10-7-15(22(30)28-19-4-2-3-11-25-19)12-17(18)27-20(29)13-26-16-8-5-14(6-9-16)21(23)24/h2-12,26H,13H2,1H3,(H3,23,24)(H,25,28,30)
InChIKey
PCUHMXXHLDGABI-UHFFFAOYSA-N
Compound name
2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.18076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18804 194.8
[M+Na]+ 422.16998 207.0
[M+NH4]+ 417.21458 200.1
[M+K]+ 438.14392 202.3
[M-H]- 398.17348 201.1
[M+Na-2H]- 420.15543 203.6
[M]+ 399.18021 198.0
[M]- 399.18131 198.0
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

patents stripe