CID 224043

Nsc12271

Structural Information

Molecular Formula
C26H29N3O2
SMILES
CCCCN(CCO)CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)O
InChI
InChI=1S/C26H29N3O2/c1-2-3-14-29(15-16-30)18-19-17-20(12-13-25(19)31)27-26-21-8-4-6-10-23(21)28-24-11-7-5-9-22(24)26/h4-13,17,30-31H,2-3,14-16,18H2,1H3,(H,27,28)
InChIKey
KWXCOQPYBVERDB-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)-2-[[butyl(2-hydroxyethyl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23326 201.5
[M+Na]+ 438.21520 207.0
[M-H]- 414.21870 206.6
[M+NH4]+ 433.25980 210.9
[M+K]+ 454.18914 200.1
[M+H-H2O]+ 398.22324 190.4
[M+HCOO]- 460.22418 220.7
[M+CH3COO]- 474.23983 209.3
[M+Na-2H]- 436.20065 207.2
[M]+ 415.22543 204.3
[M]- 415.22653 204.3
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.