CID 18655

Brn 0899956

Structural Information

Molecular Formula
C22H29N3OS
SMILES
CCCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3N2CCN(CC)CC
InChI
InChI=1S/C22H29N3OS/c1-4-17-26-18-11-13-19(14-12-18)27-22-23-20-9-7-8-10-21(20)25(22)16-15-24(5-2)6-3/h7-14H,4-6,15-17H2,1-3H3
InChIKey
SVSKHQJLSBLNFL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(4-propoxyphenyl)sulfanylbenzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20312 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21040 194.3
[M+Na]+ 406.19234 202.2
[M-H]- 382.19584 200.6
[M+NH4]+ 401.23694 207.7
[M+K]+ 422.16628 196.5
[M+H-H2O]+ 366.20038 184.6
[M+HCOO]- 428.20132 212.1
[M+CH3COO]- 442.21697 225.3
[M+Na-2H]- 404.17779 194.6
[M]+ 383.20257 203.6
[M]- 383.20367 203.6
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.