CID 456213

Schembl6363206

Structural Information

Molecular Formula
C20H25N5
SMILES
CC(C)N=C(C1=CC2=C(C=C1)NC3=C2C=C(C=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C20H25N5/c1-11(2)23-19(21)13-5-7-17-15(9-13)16-10-14(6-8-18(16)25-17)20(22)24-12(3)4/h5-12,25H,1-4H3,(H2,21,23)(H2,22,24)
InChIKey
SJINKEHZBDPQQW-UHFFFAOYSA-N
Compound name
3-N',6-N'-di(propan-2-yl)-9H-carbazole-3,6-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

335.211 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 183.1
[M+Na]+ 358.20022 188.5
[M-H]- 334.20372 187.9
[M+NH4]+ 353.24482 198.4
[M+K]+ 374.17416 184.1
[M+H-H2O]+ 318.20826 174.8
[M+HCOO]- 380.20920 205.1
[M+CH3COO]- 394.22485 227.3
[M+Na-2H]- 356.18567 183.9
[M]+ 335.21045 181.5
[M]- 335.21155 181.6
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