CID 5277382

Carbamic acid, [2-hydroxy-7-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-1h-benzimidazol-5-yl]-, ethyl ester

Structural Information

Molecular Formula
C20H25N5O4
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NCC(CN(C)C3=CC=CC=C3)O)NC(=O)N2
InChI
InChI=1S/C20H25N5O4/c1-3-29-20(28)22-13-9-16(18-17(10-13)23-19(27)24-18)21-11-15(26)12-25(2)14-7-5-4-6-8-14/h4-10,15,21,26H,3,11-12H2,1-2H3,(H,22,28)(H2,23,24,27)
InChIKey
SHVOMAJPUNBLER-UHFFFAOYSA-N
Compound name
ethyl N-[7-[[2-hydroxy-3-(N-methylanilino)propyl]amino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.19064 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19792 190.8
[M+Na]+ 422.17986 194.9
[M-H]- 398.18336 193.8
[M+NH4]+ 417.22446 199.3
[M+K]+ 438.15380 190.9
[M+H-H2O]+ 382.18790 181.1
[M+HCOO]- 444.18884 210.7
[M+CH3COO]- 458.20449 225.5
[M+Na-2H]- 420.16531 193.4
[M]+ 399.19009 191.7
[M]- 399.19119 191.7
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.