CID 515979

1-isopropylsulfonyl-n,n-dimethyl-6-[(e)-n-methyl-c-phenyl-carbonimidoyl]benzimidazol-2-amine

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC)C3=CC=CC=C3)N=C1N(C)C
InChI
InChI=1S/C20H24N4O2S/c1-14(2)27(25,26)24-18-13-16(11-12-17(18)22-20(24)23(4)5)19(21-3)15-9-7-6-8-10-15/h6-14H,1-5H3
InChIKey
LQQAYRNPDAXBCT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6-(N-methyl-C-phenylcarbonimidoyl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.162 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 192.9
[M+Na]+ 407.15122 201.2
[M-H]- 383.15472 201.4
[M+NH4]+ 402.19582 206.1
[M+K]+ 423.12516 197.4
[M+H-H2O]+ 367.15926 184.0
[M+HCOO]- 429.16020 210.8
[M+CH3COO]- 443.17585 228.3
[M+Na-2H]- 405.13667 194.6
[M]+ 384.16145 200.2
[M]- 384.16255 200.2
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

No patent data available for this compound.