CID 516745

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

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NC=C)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C19H20N4O2S/c1-4-21-18(14-8-6-5-7-9-14)15-10-11-16-17(12-15)23(19(20)22-16)26(24,25)13(2)3/h4-13H,1H2,2-3H3,(H2,20,22)
InChIKey
RSQPVAFAKUQZGY-UHFFFAOYSA-N
Compound name
6-(N-ethenyl-C-phenylcarbonimidoyl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 188.4
[M+Na]+ 391.11992 197.4
[M-H]- 367.12342 195.2
[M+NH4]+ 386.16452 201.3
[M+K]+ 407.09386 191.5
[M+H-H2O]+ 351.12796 180.0
[M+HCOO]- 413.12890 205.8
[M+CH3COO]- 427.14455 220.9
[M+Na-2H]- 389.10537 190.2
[M]+ 368.13015 192.5
[M]- 368.13125 192.5
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

No patent data available for this compound.