CID 334687

Nsc340555

Structural Information

Molecular Formula
C18H19N3
SMILES
CCCCC1C2=C(C3=C(C=C2)C4=CC=CC=C4N3)NC=N1
InChI
InChI=1S/C18H19N3/c1-2-3-7-15-14-10-9-13-12-6-4-5-8-16(12)21-18(13)17(14)20-11-19-15/h4-6,8-11,15,21H,2-3,7H2,1H3,(H,19,20)
InChIKey
DYPCXFPTTAYIOF-UHFFFAOYSA-N
Compound name
4-butyl-4,11-dihydro-1H-pyrimido[4,5-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 166.1
[M+Na]+ 300.14712 175.7
[M-H]- 276.15062 165.9
[M+NH4]+ 295.19172 182.0
[M+K]+ 316.12106 167.0
[M+H-H2O]+ 260.15516 157.3
[M+HCOO]- 322.15610 180.8
[M+CH3COO]- 336.17175 176.1
[M+Na-2H]- 298.13257 172.4
[M]+ 277.15735 165.2
[M]- 277.15845 165.2
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

No patent data available for this compound.