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]+ 317.141526 175.7
[M+Na]+ 339.123468 186.5
[M-H]- 315.126974 181.5
[M+NH4]+ 334.168073 194.8
[M+K]+ 355.097408 180.8
[M+H-H2O]+ 299.131510 168.3
[M+HCOO]- 361.132451 194.7
[M+CH3COO]- 375.148101 214.1
[M+Na-2H]- 337.108916 179.6
[M]+ 316.13370142 184.5
[M]- 316.13479858 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.