CID 453409

Diaminobutane deriv.

Structural Information

Molecular Formula
C23H31N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCCCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C23H31N5O/c1-17(2)25-20-12-9-13-24-22(20)27(3)14-7-8-15-28(4)23(29)21-16-18-10-5-6-11-19(18)26-21/h5-6,9-13,16-17,25-26H,7-8,14-15H2,1-4H3
InChIKey
RLASLYYWLCWSKH-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]butyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.25287 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26015 198.5
[M+Na]+ 416.24209 201.7
[M-H]- 392.24559 204.4
[M+NH4]+ 411.28669 209.1
[M+K]+ 432.21603 198.0
[M+H-H2O]+ 376.25013 187.6
[M+HCOO]- 438.25107 220.0
[M+CH3COO]- 452.26672 235.0
[M+Na-2H]- 414.22754 199.6
[M]+ 393.25232 201.4
[M]- 393.25342 201.4
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.