CID 474507

Schembl9282088

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CC1=CC(=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC)N
InChI
InChI=1S/C18H21N3O2S/c1-10-7-14(19)13(11(2)17(10)23-4)9-24-18-20-15-6-5-12(22-3)8-16(15)21-18/h5-8H,9,19H2,1-4H3,(H,20,21)
InChIKey
JCULZXGUMGTWSB-UHFFFAOYSA-N
Compound name
4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

343.13544 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 180.8
[M+Na]+ 366.12466 192.3
[M-H]- 342.12816 185.7
[M+NH4]+ 361.16926 195.0
[M+K]+ 382.09860 185.6
[M+H-H2O]+ 326.13270 173.1
[M+HCOO]- 388.13364 197.5
[M+CH3COO]- 402.14929 191.9
[M+Na-2H]- 364.11011 180.5
[M]+ 343.13489 187.5
[M]- 343.13599 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe