CID 11624702

Schembl4940287

Structural Information

Molecular Formula
C22H27N5
SMILES
CN(CC1=NC2=CC=CC=C2N1C/C=C/CN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C22H27N5/c1-26(20-12-6-8-17-9-7-14-24-22(17)20)16-21-25-18-10-2-3-11-19(18)27(21)15-5-4-13-23/h2-5,7,9-11,14,20H,6,8,12-13,15-16,23H2,1H3/b5-4+
InChIKey
OLDOFIFASUPIHM-SNAWJCMRSA-N
Compound name
N-[[1-[(E)-4-aminobut-2-enyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

361.22665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23393 188.6
[M+Na]+ 384.21587 194.7
[M-H]- 360.21937 193.2
[M+NH4]+ 379.26047 200.5
[M+K]+ 400.18981 187.6
[M+H-H2O]+ 344.22391 177.1
[M+HCOO]- 406.22485 207.1
[M+CH3COO]- 420.24050 197.2
[M+Na-2H]- 382.20132 192.0
[M]+ 361.22610 188.0
[M]- 361.22720 188.0
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

patents stripe