CID 153898

1,3-propanediol, 2-methyl-2-(((7-methyl-7h-benzo(c)carbazol-10-yl)methyl)amino)-

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC(CO)(CO)NCC1=CC2=C(C=C1)N(C3=C2C4=CC=CC=C4C=C3)C
InChI
InChI=1S/C22H24N2O2/c1-22(13-25,14-26)23-12-15-7-9-19-18(11-15)21-17-6-4-3-5-16(17)8-10-20(21)24(19)2/h3-11,23,25-26H,12-14H2,1-2H3
InChIKey
JVMISFXHWOKYOX-UHFFFAOYSA-N
Compound name
2-methyl-2-[(7-methylbenzo[c]carbazol-10-yl)methylamino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

348.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.9
[M+Na]+ 371.17300 194.4
[M-H]- 347.17650 188.2
[M+NH4]+ 366.21760 200.6
[M+K]+ 387.14694 187.3
[M+H-H2O]+ 331.18104 177.6
[M+HCOO]- 393.18198 203.2
[M+CH3COO]- 407.19763 195.2
[M+Na-2H]- 369.15845 192.3
[M]+ 348.18323 189.3
[M]- 348.18433 189.3
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