CID 74335114

Klb37639

Structural Information

Molecular Formula
C19H28N4O4
SMILES
CC(C)(C)C(C(=O)N)NC(=O)N1C2=CC=CC=C2N(C1=O)CCC(C)(C)O
InChI
InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)
InChIKey
GGNIFXBIJCNXCT-UHFFFAOYSA-N
Compound name
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-hydroxy-3-methylbutyl)-2-oxobenzimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.21106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.218336 191.7
[M+Na]+ 399.200278 197.6
[M-H]- 375.203784 192.6
[M+NH4]+ 394.244883 202.8
[M+K]+ 415.174218 195.2
[M+H-H2O]+ 359.208320 184.9
[M+HCOO]- 421.209261 207.3
[M+CH3COO]- 435.224911 222.1
[M+Na-2H]- 397.185726 193.1
[M]+ 376.21051142 194.4
[M]- 376.21160858 194.4
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.