CID 39019

41734-89-8

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
CN(C)CCCN1C2=C(C=CC(=C2)OC)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2O/c1-20(2)9-4-10-21-17-11-13(19)5-7-15(17)16-8-6-14(22-3)12-18(16)21/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey
GQMRLDYWGFYOTL-UHFFFAOYSA-N
Compound name
3-(2-chloro-7-methoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 175.7
[M+Na]+ 339.12347 186.5
[M-H]- 315.12697 181.5
[M+NH4]+ 334.16807 194.8
[M+K]+ 355.09741 180.8
[M+H-H2O]+ 299.13151 168.3
[M+HCOO]- 361.13245 194.7
[M+CH3COO]- 375.14810 214.1
[M+Na-2H]- 337.10892 179.6
[M]+ 316.13370 184.5
[M]- 316.13480 184.5
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.