CID 476220

Schembl6366886

Structural Information

Molecular Formula
C27H33N5
SMILES
C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCCN4)C5=C2C=CC(=C5)C6=NCCCN6
InChI
InChI=1S/C27H33N5/c1-2-6-19(7-3-1)18-32-24-10-8-20(26-28-12-4-13-29-26)16-22(24)23-17-21(9-11-25(23)32)27-30-14-5-15-31-27/h8-11,16-17,19H,1-7,12-15,18H2,(H,28,29)(H,30,31)
InChIKey
RAVIBKGRCRMQHH-UHFFFAOYSA-N
Compound name
9-(cyclohexylmethyl)-3,6-bis(1,4,5,6-tetrahydropyrimidin-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

427.2736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.28088 206.0
[M+Na]+ 450.26282 208.3
[M-H]- 426.26632 208.7
[M+NH4]+ 445.30742 209.6
[M+K]+ 466.23676 197.2
[M+H-H2O]+ 410.27086 190.9
[M+HCOO]- 472.27180 209.9
[M+CH3COO]- 486.28745 209.3
[M+Na-2H]- 448.24827 203.9
[M]+ 427.27305 194.1
[M]- 427.27415 194.1
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