CID 3080058

Brn 4267087

Structural Information

Molecular Formula
C20H20ClN3
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)N=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3/c1-23(2)12-5-13-24-18-7-4-3-6-14(18)15-8-10-17-16(20(15)24)9-11-19(21)22-17/h3-4,6-11H,5,12-13H2,1-2H3
InChIKey
HPVYDVPSUWMLLS-UHFFFAOYSA-N
Compound name
3-(3-chloropyrido[3,2-a]carbazol-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13458 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14186 181.1
[M+Na]+ 360.12380 193.2
[M-H]- 336.12730 186.6
[M+NH4]+ 355.16840 198.7
[M+K]+ 376.09774 185.6
[M+H-H2O]+ 320.13184 171.9
[M+HCOO]- 382.13278 198.8
[M+CH3COO]- 396.14843 192.9
[M+Na-2H]- 358.10925 187.4
[M]+ 337.13403 189.7
[M]- 337.13513 189.7
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.