CID 3091534

9-benzylcarbazole-3-carboxaldehyde

Structural Information

Molecular Formula
C20H15NO
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C=O)C4=CC=CC=C42
InChI
InChI=1S/C20H15NO/c22-14-16-10-11-20-18(12-16)17-8-4-5-9-19(17)21(20)13-15-6-2-1-3-7-15/h1-12,14H,13H2
InChIKey
GSNXZYWQXATWRX-UHFFFAOYSA-N
Compound name
9-benzylcarbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

285.11536 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12264 166.4
[M+Na]+ 308.10458 177.0
[M-H]- 284.10808 174.2
[M+NH4]+ 303.14918 184.6
[M+K]+ 324.07852 170.0
[M+H-H2O]+ 268.11262 157.7
[M+HCOO]- 330.11356 189.4
[M+CH3COO]- 344.12921 179.1
[M+Na-2H]- 306.09003 172.8
[M]+ 285.11481 169.3
[M]- 285.11591 169.3
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