CID 399813

Carbamic acid, (oxybis(1h-benzimidazole-5,2-diyl))bis-, dimethyl ester

Structural Information

Molecular Formula
C18H16N6O5
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC
InChI
InChI=1S/C18H16N6O5/c1-27-17(25)23-15-19-11-5-3-9(7-13(11)21-15)29-10-4-6-12-14(8-10)22-16(20-12)24-18(26)28-2/h3-8H,1-2H3,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKey
CTIKCTPWGUDEDX-UHFFFAOYSA-N
Compound name
methyl N-[6-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.11823 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12551 184.7
[M+Na]+ 419.10745 193.4
[M-H]- 395.11095 188.3
[M+NH4]+ 414.15205 194.1
[M+K]+ 435.08139 189.3
[M+H-H2O]+ 379.11549 175.6
[M+HCOO]- 441.11643 204.7
[M+CH3COO]- 455.13208 194.1
[M+Na-2H]- 417.09290 189.6
[M]+ 396.11768 190.1
[M]- 396.11878 190.1
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