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

18
Patents

302.21066 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21794 172.5
[M+Na]+ 325.19988 177.7
[M-H]- 301.20338 174.0
[M+NH4]+ 320.24448 183.4
[M+K]+ 341.17382 175.7
[M+H-H2O]+ 285.20792 160.9
[M+HCOO]- 347.20886 186.6
[M+CH3COO]- 361.22451 180.7
[M+Na-2H]- 323.18533 174.7
[M]+ 302.21011 168.7
[M]- 302.21121 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