CID 488173

1-(methyl[?]yl)propan-2-ol

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(C)O
InChI
InChI=1S/C18H24N2O/c1-12-6-7-16-15(10-12)14-4-3-5-17-18(14)20(16)9-8-19(17)11-13(2)21/h6-7,10,13,17,21H,3-5,8-9,11H2,1-2H3
InChIKey
DEOZQAROUMJIFA-UHFFFAOYSA-N
Compound name
1-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

284.18887 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.6
[M+Na]+ 307.17809 176.6
[M-H]- 283.18159 170.5
[M+NH4]+ 302.22269 187.4
[M+K]+ 323.15203 170.9
[M+H-H2O]+ 267.18613 161.5
[M+HCOO]- 329.18707 181.7
[M+CH3COO]- 343.20272 179.2
[M+Na-2H]- 305.16354 171.7
[M]+ 284.18832 168.5
[M]- 284.18942 168.5
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

patents stripe