CID 129607

Lavanducyanin

Structural Information

Molecular Formula
C22H24N2O
SMILES
CC1=C(CCC(C1)(C)C)CN2C3=CC=CC=C3N=C4C2=CC=CC4=O
InChI
InChI=1S/C22H24N2O/c1-15-13-22(2,3)12-11-16(15)14-24-18-8-5-4-7-17(18)23-21-19(24)9-6-10-20(21)25/h4-10H,11-14H2,1-3H3
InChIKey
AMQJGKJHNQVSQU-UHFFFAOYSA-N
Compound name
5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
Patents

332.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 183.3
[M+Na]+ 355.178088 192.9
[M-H]- 331.181594 189.0
[M+NH4]+ 350.222693 198.6
[M+K]+ 371.152028 185.9
[M+H-H2O]+ 315.186130 172.2
[M+HCOO]- 377.187071 198.9
[M+CH3COO]- 391.202721 193.4
[M+Na-2H]- 353.163536 188.1
[M]+ 332.18832142 183.2
[M]- 332.18941858 183.2
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