CID 18656

Brn 0899955

Structural Information

Molecular Formula
C22H30N4S
SMILES
CCCNC1=CC=C(C=C1)SC2=NC3=CC=CC=C3N2CCN(CC)CC
InChI
InChI=1S/C22H30N4S/c1-4-15-23-18-11-13-19(14-12-18)27-22-24-20-9-7-8-10-21(20)26(22)17-16-25(5-2)6-3/h7-14,23H,4-6,15-17H2,1-3H3
InChIKey
VTBSOLHILHHKQT-UHFFFAOYSA-N
Compound name
4-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]sulfanyl-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.21912 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22640 193.3
[M+Na]+ 405.20834 200.5
[M-H]- 381.21184 199.5
[M+NH4]+ 400.25294 206.4
[M+K]+ 421.18228 194.1
[M+H-H2O]+ 365.21638 183.4
[M+HCOO]- 427.21732 211.9
[M+CH3COO]- 441.23297 228.2
[M+Na-2H]- 403.19379 194.4
[M]+ 382.21857 200.6
[M]- 382.21967 200.6
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.