CID 135594

Brn 5619181

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=C(C=C4)OC)NCCCN
InChI
InChI=1S/C20H22N4O/c1-12-14-6-9-23-20(22-8-3-7-21)17(14)11-16-15-10-13(25-2)4-5-18(15)24-19(12)16/h4-6,9-11,24H,3,7-8,21H2,1-2H3,(H,22,23)
InChIKey
VNOURZVCRKGYNJ-UHFFFAOYSA-N
Compound name
N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

334.17935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 178.6
[M+Na]+ 357.16857 189.4
[M-H]- 333.17207 181.9
[M+NH4]+ 352.21317 194.0
[M+K]+ 373.14251 181.8
[M+H-H2O]+ 317.17661 170.0
[M+HCOO]- 379.17755 199.8
[M+CH3COO]- 393.19320 189.4
[M+Na-2H]- 355.15402 185.6
[M]+ 334.17880 182.6
[M]- 334.17990 182.6
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