CID 15959051

Schembl4939982

Structural Information

Molecular Formula
C24H31N5
SMILES
CN(C)C/C=C\CN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C24H31N5/c1-27(2)16-6-7-17-29-21-13-5-4-12-20(21)26-23(29)18-28(3)22-14-8-10-19-11-9-15-25-24(19)22/h4-7,9,11-13,15,22H,8,10,14,16-18H2,1-3H3/b7-6-
InChIKey
AMJRGYWDPGQUFD-SREVYHEPSA-N
Compound name
N-[[1-[(Z)-4-(dimethylamino)but-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

389.25793 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.26521 198.3
[M+Na]+ 412.24715 203.4
[M-H]- 388.25065 204.3
[M+NH4]+ 407.29175 209.8
[M+K]+ 428.22109 197.5
[M+H-H2O]+ 372.25519 186.0
[M+HCOO]- 434.25613 217.1
[M+CH3COO]- 448.27178 206.6
[M+Na-2H]- 410.23260 200.7
[M]+ 389.25738 200.4
[M]- 389.25848 200.4
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