CID 476219

Schembl6366882

Structural Information

Molecular Formula
C21H23N5
SMILES
CN1C2=C(C=C(C=C2)C3=NCCCN3)C4=C1C=CC(=C4)C5=NCCCN5
InChI
InChI=1S/C21H23N5/c1-26-18-6-4-14(20-22-8-2-9-23-20)12-16(18)17-13-15(5-7-19(17)26)21-24-10-3-11-25-21/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,23)(H,24,25)
InChIKey
QHXWCWSUKBPACY-UHFFFAOYSA-N
Compound name
9-methyl-3,6-bis(1,4,5,6-tetrahydropyrimidin-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

345.19534 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20262 185.9
[M+Na]+ 368.18456 193.1
[M-H]- 344.18806 187.7
[M+NH4]+ 363.22916 194.1
[M+K]+ 384.15850 183.1
[M+H-H2O]+ 328.19260 173.3
[M+HCOO]- 390.19354 195.1
[M+CH3COO]- 404.20919 192.7
[M+Na-2H]- 366.17001 188.0
[M]+ 345.19479 179.2
[M]- 345.19589 179.2
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