CID 401968

Schembl7195106

Structural Information

Molecular Formula
C25H29N5
SMILES
C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCN4)C5=C2C=CC(=C5)C6=NCCN6
InChI
InChI=1S/C25H29N5/c1-2-4-17(5-3-1)16-30-22-8-6-18(24-26-10-11-27-24)14-20(22)21-15-19(7-9-23(21)30)25-28-12-13-29-25/h6-9,14-15,17H,1-5,10-13,16H2,(H,26,27)(H,28,29)
InChIKey
ULJWILIIJVNXTE-UHFFFAOYSA-N
Compound name
9-(cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

399.2423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24958 194.3
[M+Na]+ 422.23152 199.4
[M-H]- 398.23502 200.0
[M+NH4]+ 417.27612 203.6
[M+K]+ 438.20546 190.2
[M+H-H2O]+ 382.23956 182.4
[M+HCOO]- 444.24050 204.2
[M+CH3COO]- 458.25615 200.7
[M+Na-2H]- 420.21697 188.6
[M]+ 399.24175 187.3
[M]- 399.24285 187.3
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