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
2
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 192.3
[M+Na]+ 422.16998 198.7
[M-H]- 398.17348 199.8
[M+NH4]+ 417.21458 200.2
[M+K]+ 438.14392 191.8
[M+H-H2O]+ 382.17802 180.8
[M+HCOO]- 444.17896 215.2
[M+CH3COO]- 458.19461 200.8
[M+Na-2H]- 420.15543 197.3
[M]+ 399.18021 191.1
[M]- 399.18131 191.1
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

patents stripe