CID 13656992

95893-96-2

Structural Information

Molecular Formula
C17H26N4O
SMILES
CCOCCN1C2=CC=CC=C2N=C1CN3CCCNCC3
InChI
InChI=1S/C17H26N4O/c1-2-22-13-12-21-16-7-4-3-6-15(16)19-17(21)14-20-10-5-8-18-9-11-20/h3-4,6-7,18H,2,5,8-14H2,1H3
InChIKey
ZLAAITSGMAYYIB-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-ylmethyl)-1-(2-ethoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

302.21066 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.217936 172.5
[M+Na]+ 325.199878 177.7
[M-H]- 301.203384 174.0
[M+NH4]+ 320.244483 183.4
[M+K]+ 341.173818 175.7
[M+H-H2O]+ 285.207920 160.9
[M+HCOO]- 347.208861 186.6
[M+CH3COO]- 361.224511 180.7
[M+Na-2H]- 323.185326 174.7
[M]+ 302.21011142 168.7
[M]- 302.21120858 168.7
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

patents stripe